64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-957.9447227117756 stress="0.006184164989661369 0.0022041452906678685 -0.0005658122597373152 0.0022041452906678685 0.005561760608086031 0.0011619718130294761 -0.0005658122597373152 0.0011619718130294761 0.007326220083194703" pbc="F F F" Pd 34.83133843 35.52117058 34.93722783 -3.37328642 -2.93698516 -1.59951212 Pd 36.61699722 36.71060527 35.85982846 60.93839972 -98.85704201 104.20567004 Al 37.99710517 37.83994291 35.09870925 204.13020272 134.92334642 165.84428664 Mn 38.87281741 38.42676694 35.81547199 -187.13029365 -126.96173575 -157.54183800 Mn 37.35109979 35.61878589 36.95284153 122.52489858 250.01061175 134.00513640 Al 38.02441717 36.16787382 37.80605091 -176.73147430 -135.34575310 -236.74771196 Mn 34.78006585 37.72448075 37.85174641 -4.25362171 0.56663229 3.70009327 Al 36.51209807 38.16262772 39.27121052 41.45294325 -44.83762071 15.10328783 Mn 40.42757428 34.75863088 35.41860697 4.89562340 -0.94695058 -0.26659465 Mn 40.91850122 36.61844300 36.13545704 -214.97747624 252.58315812 333.19707379 Al 43.15642448 37.33048716 34.89984239 64.42565517 172.35927019 113.22731791 Al 43.65433891 38.61885922 35.73941259 -66.36529579 -174.45104920 -113.92308122 Pd 42.45825040 35.02526060 37.03983244 -0.78572068 -1.07180221 0.06942336 Mn 43.47112173 36.79047093 38.27847769 3.10247334 -3.02739021 -9.07877198 Pd 40.34800794 37.29753327 37.03820319 215.88729337 -237.23810167 -323.64652901 Mn 41.25099946 38.86413676 37.90241179 56.31593366 20.24359655 -31.49113962 Al 34.91227477 39.47168232 35.11475672 2.60984755 -0.94921869 1.85458181 Mn 35.74188652 41.25679529 36.48326158 -0.57976809 1.11722279 -0.46327306 Al 37.66654345 42.36405690 35.30145542 -2.96114602 -6.83717535 -2.00072631 Pd 38.55854814 43.95216371 36.19364853 3.01040506 5.12699927 4.17951527 Pd 38.16543404 40.02331948 37.30385688 3.65916080 10.49642119 8.99744625 Al 38.75216027 41.28329973 38.52503267 -13.20120305 -11.88854184 -11.08668915 Al 35.36958002 43.14599998 37.61374513 -6.39926901 -2.32821454 -4.47031282 Al 36.95815562 43.71726263 38.75473225 19.27236579 -39.01595087 72.46606158 Pd 39.22989069 40.18749059 34.75574549 -5.51663574 -12.65801031 2.68410309 Pd 41.06566759 41.20027434 36.28282558 -2.68778001 -0.83174748 0.33247307 Mn 42.41066172 42.30661947 34.91163275 3.91068814 3.50132155 1.69783072 Mn 43.33056939 43.47660714 36.68122783 -4.98610950 -2.56619302 -3.00457337 Pd 42.77586385 39.73987636 37.34745515 -64.29163074 -37.72290247 27.18715542 Mn 43.91262847 41.29731772 39.07265669 -1.56106446 2.47954882 4.64216095 Mn 40.30752216 42.50687145 38.18150113 3.58365502 3.00947592 2.74567896 Mn 41.17239327 44.04092050 38.05117744 1.72267235 -1.80790555 -0.42066358 Mn 35.35819831 35.49877534 39.97778638 126.76580128 78.56325231 162.29150940 Al 36.21724875 36.01724151 41.07313693 -129.47442101 -79.28866193 -161.17643515 Pd 37.65390583 36.92481909 39.80785232 -35.74519110 41.99155400 -22.11861627 Al 38.85443665 38.12622117 41.25719258 31.51634420 -39.39899510 32.97695724 Pd 38.31586108 34.97655364 42.36190194 -2.34519206 -4.06884551 -3.17310030 Al 38.96458936 36.48970619 43.77876962 67.93218829 52.07104952 -136.54854980 Al 35.22916198 37.20759482 43.08237433 114.11664881 159.82853988 65.91119406 Pd 36.11999546 38.44891992 43.59834881 -114.27142355 -159.93469070 -65.20838203 Al 39.76523483 35.01560704 39.49296917 -4.93583762 3.51525006 -3.86387502 Al 40.82116442 36.61356758 41.54030835 -308.71158692 100.76604972 218.13960509 Al 42.63290428 37.58965455 39.72292951 -6.17828528 5.20302746 7.15688545 Pd 43.39413391 39.52501115 41.12923147 -170.84310052 31.73492823 332.26419428 Mn 42.39963516 34.79806011 42.37447486 1.11619243 1.21220039 0.45808591 Al 44.03712378 35.69225057 43.86278325 -1.25318968 -0.19568666 -1.27583451 Pd 39.65271335 37.00038461 42.36679250 217.51995142 -113.29761492 -117.28983255 Mn 41.44986963 39.15756038 43.80987196 114.55169477 51.67164999 -111.69804068 Pd 34.84699765 40.19818270 39.90525297 18.40484341 42.91891749 30.46383368 Mn 35.46431162 41.67006462 40.93601534 -24.13195063 -39.26689640 -16.03715215 Pd 37.22111094 42.82536173 40.22415724 148.75903289 93.49407996 14.92626515 Al 38.60677469 43.26459348 40.96167240 -158.39164746 -49.71253601 -85.02671067 Mn 37.53803406 39.33867294 41.91386455 -5.30671304 4.14869616 0.00642463 Pd 38.92925985 40.90834961 43.37881897 195.70989434 313.49711716 -158.28883239 Mn 35.15158367 42.36268444 42.32590472 2.87710948 -5.20315740 -13.14099086 Pd 36.10622557 44.12560422 43.86018178 -0.37067108 -0.96645866 -0.69361612 Mn 40.41631722 40.37381488 39.09159510 5.28626592 -2.81568391 -1.51912774 Al 41.26101148 42.01294049 41.39502883 -2.49200240 -6.61926348 3.09439164 Mn 42.33400283 42.34036657 39.98000741 9.27204847 0.49148476 -15.18397420 Al 43.23282669 44.09700019 41.02644926 -0.40775131 -0.46859013 0.56628113 Pd 42.59031813 39.66743923 42.69193565 54.09888270 -86.75602799 -224.63904640 Al 43.34079231 41.07463512 43.92918131 1.51865066 3.95463422 3.72462433 Pd 39.77569268 42.27453202 42.69277125 -67.93464836 -196.13203256 189.92298090 Pd 41.17914812 43.51414057 42.97068150 -132.29237958 -115.07460409 -25.41899552