108 Lattice="10.94649362591938 0.0 0.0 0.0 10.94649362591938 0.0 0.0 0.0 10.94649362591938" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.6291651617361 stress="-0.025921362704659244 0.0016251550644448228 -0.005065897257439216 0.0016251550644448228 0.001568981818393392 9.207488238661674e-06 -0.005065897257439216 9.207488238661674e-06 -0.006354621957073616" free_energy=-467.6291651617361 pbc="F F F" Mn 0.00209088 0.03403655 0.03233227 -0.53019003 2.03454878 1.88394737 Pd 1.83672944 1.75983350 0.03287575 0.00318857 0.43605678 -3.91392580 Pd 1.86837644 0.03077958 1.83674644 -0.53941036 -3.42645862 -0.70523460 Mn 0.01411312 1.85568707 1.79378181 -0.89933822 -0.05343040 -2.11575501 Al 3.60220264 0.01820526 0.00312953 0.37120778 0.65476643 0.83872869 Pd 5.44564951 1.81892119 0.03273649 -0.19776643 -0.31246926 -3.42215360 Pd 5.43772169 0.01963901 1.88063441 1.23475796 -2.00825976 -0.69848383 Mn 3.62055932 1.79422587 1.82139419 0.52403939 1.78289420 0.90333054 Pd 7.31714857 0.05082424 0.02339344 0.70295041 -0.47524917 -1.67094790 Al 9.12914910 1.81675097 0.00054832 0.75757808 -0.42401187 -0.35574981 Pd 9.12493481 0.00924827 1.83910645 1.01517134 0.51974372 0.83731586 Al 7.28594265 1.82962658 1.79934584 -0.14587408 -1.66747302 0.73746967 Mn 0.03469094 3.63274258 0.01127725 0.72215191 1.30351646 2.46289950 Mn 1.84769849 5.47550610 0.00028569 -3.39538229 -0.83419229 -1.46250591 Pd 1.83315521 3.64843651 1.80276962 -1.22295350 1.32343057 2.28799772 Al 0.03469704 5.51680329 1.81351674 -0.53917589 0.21755451 -1.70293175 Mn 3.67854613 3.63326639 0.03504749 -0.08646188 2.15294363 -1.68529110 Mn 5.45805546 5.43293640 0.01946672 0.81097097 0.32162222 -0.01497835 Pd 5.49451944 3.61517379 1.80200473 1.54293446 -1.24135157 2.87797333 Pd 3.64427801 5.45032318 1.78867019 -1.28081470 2.03354298 1.47477950 Al 7.27252126 3.61264653 0.03198500 -0.97246177 1.62113014 -0.63089877 Al 9.14276790 5.47221091 0.01350016 0.04846705 0.44578078 1.16379451 Pd 9.15432162 3.62566912 1.79000496 0.74726841 -1.02000082 -0.25677151 Mn 7.29360397 5.45941151 1.80688703 0.21332103 3.50364976 1.38589083 Mn 0.00569984 7.29446011 0.03042772 2.97896213 -0.23779796 2.95074492 Pd 1.81461723 9.11519197 0.03219628 0.06294919 -0.05784015 -0.43168260 Al 1.84493314 7.28132176 1.80573152 -0.86060303 2.28396608 0.97161936 Mn 0.01166083 9.13972747 1.81042267 2.37345946 -5.47130671 1.79247664 Al 3.61921916 7.28620332 0.04839842 1.13728832 -0.18200791 0.01883092 Pd 5.46892728 9.09995457 0.01821736 -0.91671215 0.31272113 -0.54913435 Mn 5.49984217 7.28525080 1.85512181 1.09138220 -0.30557224 0.37372007 Mn 3.67010210 9.11477296 1.82512759 -0.85598529 -2.86276917 2.58247504 Al 7.25950981 7.27867355 0.00046247 -0.36870920 0.60056274 1.67543209 Mn 9.14840591 9.13703364 0.01793799 -2.73371898 -2.97004572 4.44253465 Mn 9.10184892 7.31357702 1.78925450 -4.33209449 1.68750309 0.50231245 Mn 7.29641373 9.09460756 1.80086808 4.18163420 -4.22155995 -0.56223893 Pd 0.03610484 0.01820825 3.63765277 -1.39583214 -1.38058995 0.15543358 Mn 1.80692970 1.83034501 3.65065247 1.79347481 2.14073196 1.10289395 Al 1.85930612 0.01799253 5.41875626 1.27029369 0.60749749 -0.24523185 Pd 0.01155665 1.79200239 5.44757344 -2.58112188 0.76628223 0.34311156 Pd 3.68240869 0.01349864 3.63463867 -0.21738376 -2.18013350 2.53680505 Al 5.44613108 1.84513077 3.63002919 0.01042959 -0.84227769 0.41498887 Al 5.50826179 0.02456114 5.48508093 -0.76321617 -0.45432821 -0.92083392 Mn 3.67246605 1.78060859 5.46441024 -1.30952180 -0.13565303 0.18711304 Mn 7.31518061 0.01484650 3.61456804 0.40455327 2.79759137 3.17976745 Al 9.12573529 1.83937566 3.67947558 0.02830270 -1.17075145 -0.40268607 Al 9.10960751 0.00398850 5.52273700 -0.50051854 0.61709381 -0.28345020 Mn 7.29596263 1.78891593 5.50437357 2.27613033 -3.18863154 -2.00304092 Al 0.04065258 3.62319450 3.64307223 0.09306703 -1.51251001 0.01184419 Al 1.84959003 5.46329739 3.66806927 0.52635857 1.39899390 1.43358320 Mn 1.79704850 3.67734753 5.50593117 2.22825972 -0.83375039 -2.62222318 Pd 0.00441104 5.46673350 5.45209259 -3.55687280 -0.81961946 -1.76256889 Al 3.62706723 3.67790672 3.67502925 -0.54609228 -1.02395513 0.66432153 Mn 5.50132537 5.48267233 3.67802451 1.04337691 2.78067777 -0.44573686 Pd 5.48107367 3.66216901 5.45006981 -1.18152554 -2.70174687 -1.29232736 Mn 3.61860078 5.45634429 5.48537721 -0.55533957 -1.71174178 -4.08847834 Al 7.33208823 3.66098503 3.69443006 -0.63654125 2.19390751 -0.32874392 Mn 9.09838081 5.48168032 3.62272331 -3.57673894 2.43990781 -0.12749662 Al 9.11340444 3.62578539 5.52649470 0.21814544 0.37516699 0.18575359 Mn 7.26136544 5.50252842 5.44110071 4.41873121 2.23844057 -3.73868668 Mn 0.02536412 7.26270389 3.64044517 1.12269643 3.10727150 -3.84892966 Mn 1.86481964 9.15550469 3.61293801 -0.45973020 -3.08128014 -5.09388232 Pd 1.82086484 7.28464354 5.48332980 1.19778603 0.22215406 -0.95534701 Pd 0.01482670 9.12961991 5.49571155 -1.29406625 0.23025217 -0.66441223 Mn 3.66693897 7.28780494 3.68324933 -0.80434824 -0.44573421 -2.74188175 Pd 5.46355603 9.11160175 3.62926748 1.32178400 3.52171853 -0.67696915 Pd 5.46982331 7.31518593 5.48431603 0.18185892 1.01260858 1.75623940 Pd 3.66505945 9.14215828 5.50075356 -0.15801351 3.17539058 0.78247111 Mn 7.29551639 7.31474908 3.66021395 3.29763661 -3.07744079 -3.55459855 Al 9.10432281 9.14834633 3.67087257 -0.75881082 -0.67468578 -2.41794648 Al 9.13368140 7.29914917 5.48538203 -0.81156638 -1.42880559 -0.32014434 Al 7.30878387 9.12662186 5.47378387 -0.64645766 -0.11418321 0.05651870 Al 0.00630762 0.02563631 7.25957006 -0.97154396 -0.00454155 0.28773708 Pd 1.79667373 1.80763247 7.25937499 0.94227037 -1.64168036 0.55196184 Al 1.85740443 0.02175705 9.08515293 1.35504221 0.85846934 -0.10762118 Pd 0.02205143 1.85345223 9.14946904 -2.50728457 -1.63016905 0.41325826 Mn 3.64105918 0.02140774 7.31997430 0.65965013 2.37586614 -0.60248791 Al 5.43899781 1.83566060 7.30654587 -0.43136987 -0.42643483 0.22069598 Pd 5.48724003 0.04437376 9.13223525 0.14225112 -0.71834937 0.44023985 Mn 3.67264052 1.84829354 9.09933625 1.57690852 -1.47546379 -1.69386005 Al 7.29024959 0.03628392 7.29466605 0.40145016 0.64979502 0.86172063 Mn 9.12644494 1.85157417 7.29793047 -2.70916902 -2.18687164 -0.06897951 Al 9.12311614 0.02933363 9.07462460 -0.36883465 1.46727218 -0.20735672 Mn 7.28155941 1.82308856 9.09676426 2.05119844 -0.42484168 -1.64242677 Mn 0.01507453 3.67295015 7.27521423 -1.05304433 -0.86144657 -1.11910610 Pd 1.79152612 5.47296405 7.31364292 2.29290742 -0.30984666 -0.37882926 Pd 1.79989493 3.58875823 9.13993383 1.68245169 0.29981793 2.58458861 Pd 0.02334444 5.49099008 9.10549576 -2.98598152 -0.06511648 1.04366724 Al 3.64985776 3.62408242 7.29353238 -1.78101285 0.40874024 -0.76775469 Pd 5.50709931 5.42670739 7.29293662 -1.46280016 0.53912930 2.76691982 Al 5.48312752 3.67462966 9.15802979 -0.33586448 -1.08902864 1.08721561 Pd 3.62810843 5.47701670 9.15537747 1.96679374 -0.63904341 1.95102215 Pd 7.31024550 3.64669951 7.28392734 0.65204341 -0.11719220 1.08247614 Al 9.09759276 5.49046357 7.35601476 0.06823187 0.65801953 -0.39041740 Pd 9.14095628 3.64647737 9.11057285 1.00841821 0.21589372 1.38243211 Al 7.32102468 5.47097919 9.11363380 -0.74464203 1.39883515 0.45958182 Mn 0.00833736 7.31020914 7.27211646 -2.06607951 2.46144166 2.55171083 Pd 1.86134045 9.13521008 7.32773455 -0.25170991 2.19322033 2.36935096 Pd 1.82424447 7.26703293 9.15152354 0.16031620 2.97707172 2.03886036 Al 0.03459255 9.09196140 9.13001216 0.55140925 -1.34430089 -1.41607420 Al 3.67910245 7.33348667 7.30152225 -0.83381337 -1.93658244 -0.22748070 Al 5.44251852 9.10094774 7.29489419 0.67286597 0.14425102 0.07171799 Mn 5.47077638 7.29421540 9.10780353 1.49129955 1.50687911 -1.36593541 Al 3.65746963 9.13436853 9.14147471 -0.25635618 -0.41012003 0.76620500 Mn 7.28881471 7.31300681 7.28916474 0.43244713 -0.11823034 1.56696788 Pd 9.09558395 9.10753287 7.32530965 0.47000212 1.24603707 -1.10657858 Pd 9.11309613 7.28469851 9.14937219 0.03995909 -0.88328940 0.63663988 Al 7.30454815 9.14241158 9.11470307 -0.17962827 -1.43019561 -0.30088033