108 Lattice="10.94963864076023 0.0 0.0 0.0 10.94963864076023 0.0 0.0 0.0 10.94963864076023" Properties=species:S:1:pos:R:3:forces:R:3 energy=-455.8333739046758 stress="-0.011068572965457492 0.010778241694095496 0.0012839380665966025 0.010778241694095496 -0.0030295816740453334 -0.01490902583195322 0.0012839380665966025 -0.01490902583195322 -0.011688618487551674" free_energy=-455.8333739046758 pbc="F F F" Al 0.00894886 0.03139898 0.01896877 1.87332675 1.86137026 1.70944697 Mn 1.84689073 1.85017988 0.02864076 -5.17796925 -3.31060549 0.90889741 Mn 1.80852836 0.00011988 1.79326407 -5.27311330 1.85709446 -0.50503445 Mn 0.00206619 1.81815298 1.81617457 2.19993941 -5.17571525 -2.00569276 Pd 3.63561792 0.03447563 0.00834121 0.07848354 -2.00154144 -1.42546924 Mn 5.40599008 1.81077837 0.03119495 0.76017210 0.77342017 -0.35433705 Al 5.46106191 0.05129994 1.79878891 0.19886772 -0.54581857 -1.87204235 Pd 3.62247925 1.79920627 1.82050225 2.53954694 -1.13948465 2.03595916 Pd 7.28042558 0.03995105 0.00589597 0.03345476 -0.78743293 -0.63493483 Al 9.13618454 1.85942557 0.00242773 0.02370071 -1.41682935 0.15833391 Mn 9.09316010 0.01849152 1.81729489 0.13952690 0.66002713 0.75732162 Pd 7.29557973 1.85897901 1.83357037 0.79679072 -1.45794696 2.11134878 Al 0.04254232 3.67549088 0.01126465 0.10546498 -1.80852762 0.54185138 Al 1.81064200 5.51601821 0.02221015 1.16036290 0.27530119 -0.72057295 Pd 1.78904919 3.61453321 1.78099216 0.13628578 3.03744569 -0.35188970 Pd 0.00275608 5.43874565 1.83554374 -2.39284554 1.29785200 -1.94595375 Pd 3.68068935 3.66896074 0.01846486 0.31825419 2.15325584 -3.43082612 Al 5.50423487 5.50205986 0.03789530 0.94544884 0.01620522 -0.85959611 Mn 5.45124608 3.66794317 1.82021012 0.81379860 -0.19192376 1.52033901 Al 3.66584557 5.42500838 1.79996819 -0.33190950 -0.04618002 1.28360339 Pd 7.26623688 3.62936485 0.02374801 0.60201497 1.06275474 -3.03778143 Al 9.09003669 5.45772224 0.06392548 -0.96655617 0.78574298 -0.63131228 Al 9.08682021 3.65567099 1.80458249 -0.34576864 0.77310924 1.65555430 Mn 7.31252456 5.48389303 1.83610047 0.06838559 0.00110755 -1.93818881 Al 0.02006596 7.33384663 0.01636819 -0.92769978 -0.24033500 0.35950851 Al 1.83698276 9.12740632 0.01846717 1.58532658 -0.03587688 0.64728152 Pd 1.85150386 7.32649920 1.84585444 0.64997402 -2.13931516 -2.04392063 Pd 0.01954274 9.11506950 1.81779504 -2.32091428 1.91774711 -1.78904285 Mn 3.61635698 7.27075774 0.02083717 1.15207926 1.26393264 0.87527104 Al 5.46597483 9.10960739 0.02221246 -0.57841196 -0.77887881 0.33404330 Al 5.50909124 7.25102051 1.85225551 -0.84316736 0.69354173 -0.65592364 Mn 3.64403245 9.15106902 1.85061593 2.89720356 -2.81382242 -0.93912033 Mn 7.32854176 7.28476787 0.02775265 1.96323069 -0.13087974 1.72095411 Mn 9.12532528 9.14840232 0.00475054 -2.67066992 -3.03269853 0.43576645 Al 9.11776046 7.32503993 1.84030125 -0.32373930 1.36753685 -0.58894919 Pd 7.23932760 9.10842668 1.86229237 0.45741240 0.80687357 0.06828271 Mn 0.00589716 0.02230332 3.65708594 1.75112813 1.19551175 -4.09772308 Pd 1.82605992 1.81029221 3.62231540 -0.06453564 -0.22489798 0.72771150 Pd 1.86876779 0.01860650 5.46034701 -0.74726272 -4.63085101 -1.52020866 Pd 0.00129748 1.78888623 5.45862546 -3.12328729 1.14187327 -0.24156004 Al 3.66817355 0.00879245 3.63726687 -1.00013678 -0.97435994 0.71607452 Al 5.46672633 1.80931978 3.62753977 -0.36797528 1.89614619 0.10446956 Mn 5.45618351 0.02359093 5.46810286 2.51881231 0.64460872 0.12860422 Pd 3.62405141 1.85586835 5.43474647 2.15767295 1.70664907 -0.15038857 Al 7.29528020 0.02311164 3.63972319 0.93079248 -1.51183339 0.68549598 Al 9.12018166 1.84555633 3.66080720 0.71128860 -0.76562130 -0.06082900 Mn 9.11819158 0.01391678 5.45313834 -2.45820880 2.72844098 2.84853916 Al 7.31893193 1.86103628 5.48387830 0.23687900 -0.84168468 2.84946585 Pd 0.00778582 3.69477387 3.65743722 -2.28915213 -0.59154694 0.29793666 Al 1.76955439 5.49687671 3.63746637 0.62580984 0.04023216 -0.18384358 Al 1.81652137 3.64931284 5.46426987 -0.53911568 -0.50246933 0.33224888 Pd 0.01860810 5.46042012 5.48216448 -2.63421496 -0.46405678 0.93720227 Mn 3.68208933 3.66232448 3.67967998 0.63860955 1.04201425 -1.19900683 Pd 5.44826220 5.47363801 3.64519692 1.22294687 0.71157448 -1.57763783 Al 5.46205571 3.68013387 5.45592368 1.05768240 0.14747321 0.75350778 Pd 3.64532220 5.48399913 5.44219878 -2.14789438 -2.86873204 1.83138195 Mn 7.27641368 3.65323675 3.69687924 -0.88978581 1.29472553 -0.79765660 Pd 9.11467645 5.51663513 3.63260354 2.25362097 0.31865302 -1.60119220 Pd 9.15203867 3.61522240 5.42451541 1.41486988 -1.00770961 0.44163822 Mn 7.27803917 5.50455025 5.45853379 4.50559848 -0.82245720 3.30819412 Pd 0.01150630 7.32688559 3.67808234 -3.66287105 -0.16790322 0.32870587 Pd 1.85152612 9.15400724 3.62911492 0.93977637 3.67368196 1.81897373 Pd 1.84154529 7.27759905 5.46662022 0.13412495 2.24180241 1.79458885 Al 0.02148757 9.13396636 5.51547167 0.84799343 0.44614026 -0.07909762 Mn 3.66754013 7.26406829 3.68519493 0.64838871 3.77133076 -3.91041502 Al 5.50719422 9.12565571 3.62364820 -1.16897050 0.73608254 -0.25065587 Pd 5.43023532 7.26994792 5.48946114 -0.03703260 2.69272232 -1.15259279 Al 3.67958266 9.14815983 5.44975345 -1.08124182 0.00837306 0.07945749 Al 7.32111685 7.28875239 3.64533488 1.29489975 -0.54919932 1.62460687 Mn 9.14521885 9.15074891 3.68631020 -0.36663420 -2.69052627 1.91825161 Mn 9.11431253 7.26670102 5.48587204 -2.63295596 0.00830212 1.77678010 Pd 7.27606468 9.10876523 5.48310329 1.38982280 2.42002878 -1.51945154 Pd 0.02167611 0.02759639 7.32697696 -1.09573492 -1.83940112 2.09990458 Pd 1.78893876 1.85202779 7.27017436 0.66454418 2.24543327 2.09542925 Mn 1.85266771 0.01607062 9.15228714 -0.69494776 4.33300699 0.19991596 Mn 0.00645394 1.80003780 9.12816014 3.94380705 1.32394197 -1.84071518 Pd 3.61640252 0.02877181 7.33101010 0.69734291 -2.78864367 0.14188529 Mn 5.49584873 1.86097588 7.27105757 2.79373063 -0.99607639 1.52018673 Pd 5.46350935 0.01836056 9.14491349 1.23744348 0.54790121 0.46167579 Mn 3.66299027 1.78149910 9.12146299 -2.00567913 0.45473201 -0.22623530 Mn 7.33412546 0.02074447 7.26534162 1.44506884 5.37655160 -2.14971803 Mn 9.14698913 1.83483009 7.31602993 -5.45070325 -1.44307115 2.58381179 Pd 9.11660988 0.01602705 9.14661795 -1.33804590 1.05836882 -1.21688240 Mn 7.30729200 1.78947460 9.11052293 3.10791796 1.33280383 -6.69683068 Mn 0.01218771 3.66062815 7.31692188 2.85839652 1.19284314 3.91727269 Mn 1.78937418 5.44893997 7.28742330 -0.79034108 -3.54104674 4.85470347 Mn 1.80620137 3.69089925 9.15875863 -1.22496853 -0.01662149 -3.42656035 Al 0.05967130 5.49161106 9.13672317 0.40014646 -2.35843375 -0.44150405 Al 3.62826473 3.66797953 7.32805549 -0.28962296 -1.37626032 1.26469738 Pd 5.45105202 5.47156344 7.31193817 -0.68312406 -0.11434923 1.94127190 Pd 5.46788814 3.68582800 9.15285578 -0.76014097 -0.64929622 2.22228114 Al 3.65247664 5.48968791 9.15590795 -0.95434781 -1.95994670 0.80234328 Mn 7.27631650 3.64327917 7.27949194 3.48119145 -1.49054688 1.70189587 Mn 9.10344168 5.49431659 7.32896973 -4.66137444 0.27228915 -0.83713615 Mn 9.14231144 3.64159126 9.14375130 -4.10987599 -1.49528893 -5.75133097 Al 7.29329204 5.46375646 9.15894306 1.63198284 -0.63005224 -1.48069233 Al 0.02988169 7.27902254 7.29889608 0.07016319 -0.25511292 -1.11700576 Mn 1.80766639 9.13794517 7.33471560 1.42519172 -0.72819059 2.83917204 Al 1.83600276 7.26971080 9.10198736 1.28875817 1.42604706 0.30442998 Al 0.02107051 9.10850008 9.12640150 0.30639104 0.70821194 -0.35480301 Al 3.67304751 7.25072546 7.31474276 -1.41277902 0.99875758 -0.66442758 Pd 5.43978484 9.09523157 7.27038307 -1.67038579 2.06334896 1.58989202 Al 5.44200879 7.28871330 9.11148058 0.98855536 1.63047586 0.39487360 Mn 3.63884058 9.15466550 9.15975597 -2.72558546 -1.95379837 -2.48815995 Mn 7.29528780 7.32013696 7.29048146 5.05230867 -3.47939677 -0.60537224 Al 9.08966812 9.13881722 7.33112055 -0.89822194 -1.71447929 -0.58941403 Pd 9.15085284 7.32447339 9.13120051 0.65695705 -0.96314822 -0.09425246 Pd 7.34134598 9.06488066 9.12510114 -0.69974729 1.02542400 0.69064665