108 Lattice="10.959580676304224 0.0 0.0 0.0 10.959580676304224 0.0 0.0 0.0 10.959580676304224" Properties=species:S:1:pos:R:3:forces:R:3 energy=-454.75366991172075 stress="-0.017975358520108113 -0.003405818618242107 0.004643952312203512 -0.003405818618242107 -0.008270603871575681 0.003088577304775003 0.004643952312203512 0.003088577304775003 -0.012366768696381538" pbc="F F F" Pd 0.00006623 0.03398314 0.00048294 -1.51926895 -1.19960945 -1.15730741 Pd 1.80857686 1.79016539 0.03008549 1.54970432 1.17557579 -3.90663066 Pd 1.83437379 0.00389780 1.81853280 -0.96129553 -3.92775200 0.67334052 Pd 0.00389504 1.86392188 1.82583857 -2.60610287 0.35881507 2.48951639 Mn 3.62223334 0.01258854 0.00914686 4.31971054 1.69622320 -0.11492086 Mn 5.47675122 1.80813944 0.02272262 -0.75995767 -1.28111024 -1.33841203 Al 5.45215543 0.01457988 1.85565656 -1.35135570 -0.21107130 -1.66796368 Pd 3.62928938 1.81827764 1.83318658 1.49679764 1.56977758 1.08967018 Al 7.29609699 0.02833918 0.03361390 0.55459831 1.23729210 -0.31323337 Mn 9.13806411 1.81155837 0.01137911 -2.40628034 3.74244417 1.71076442 Pd 9.09931103 0.03645539 1.85969571 1.09745717 -1.54546058 -0.06272275 Pd 7.30035617 1.80094152 1.83695129 -1.27002709 -0.89709746 1.02081957 Pd 0.04769131 3.65941506 0.00671477 -0.77508815 1.76728231 -0.74427723 Mn 1.84430840 5.50569963 0.01293776 -3.28766776 -1.41207837 0.57421298 Mn 1.82251107 3.67944950 1.82766950 -0.94943309 3.02351418 0.43350580 Al 0.00633694 5.48639735 1.84638625 0.38677050 0.21587703 -1.89733844 Al 3.66438031 3.63999968 0.01657179 -0.25101724 0.36834876 0.10410751 Mn 5.49555825 5.45579054 0.00076695 3.46842979 1.53067345 -0.95425934 Pd 5.49172012 3.68226058 1.85092973 -0.46443406 -2.61078826 0.09413801 Pd 3.66273163 5.46863782 1.81913982 -1.38009118 -1.18713696 1.28421042 Mn 7.29859432 3.62730606 0.00414099 0.70968374 -1.78348191 -0.75940557 Al 9.16531530 5.47706694 0.04111258 -1.31965832 -1.21967437 0.18438568 Mn 9.13160266 3.61894782 1.81089092 0.15290487 -2.62923415 -0.63880154 Pd 7.33520523 5.49280523 1.80276021 2.91402604 -0.19696978 -0.12888602 Mn 0.02149282 7.33815741 0.04466105 2.21163381 -1.07775835 0.50748734 Al 1.84529934 9.13246110 0.02499187 -0.44351614 -0.82552309 -0.94277826 Pd 1.82068064 7.28955432 1.85754076 -0.37532404 0.85088202 -0.57972561 Al 0.03436255 9.12524069 1.82622689 -0.58108725 -0.64270953 0.01193944 Pd 3.61264101 7.27690988 0.03117595 0.42269011 1.48445837 -3.23158962 Pd 5.49020137 9.14131941 0.02663879 0.32605679 0.89005616 0.03407433 Mn 5.46383398 7.29729139 1.81513137 1.18077337 3.25557681 -2.03925683 Al 3.63099676 9.13039652 1.83904691 1.95271171 0.09540770 0.70613324 Mn 7.27097795 7.31038651 0.00792319 -1.57024995 -0.58741506 1.07420859 Al 9.13747302 9.10771040 0.01659008 -0.60127437 -0.28276051 -0.84513106 Al 9.10659154 7.34597405 1.79946747 0.38151641 -0.18208280 0.40085922 Al 7.27377321 9.10721916 1.82939820 -1.71049510 -0.21690378 0.36451135 Mn 0.01475988 0.01510348 3.63164690 0.67838225 2.54723302 3.86784657 Al 1.83856762 1.76558874 3.64453183 -0.85578043 0.06352910 -0.51492952 Al 1.79663882 0.01475309 5.47264399 -1.03852652 0.26595234 -0.28592215 Mn 0.02303337 1.80358574 5.50183089 -0.09523756 0.20229372 -2.46360837 Pd 3.63133618 0.00910237 3.63675819 1.08337266 -2.15955065 2.04588366 Al 5.49199966 1.85130831 3.61732680 -1.10767330 -0.70603857 1.27639406 Mn 5.47317570 0.01324767 5.46804256 -3.36749834 0.84102184 -0.99215971 Mn 3.66937697 1.83435416 5.50815381 1.62683422 -0.85931019 -0.14465971 Al 7.27309558 0.02246600 3.68840229 1.78236035 -0.38819526 1.11120699 Mn 9.13835406 1.89429537 3.65956004 0.56382874 0.50854393 1.43808975 Mn 9.13612071 0.00678687 5.48151443 0.38661221 2.58111589 -2.28131703 Pd 7.27265102 1.79421379 5.49087490 1.34917438 0.33513743 -1.59997350 Al 0.00555202 3.65447636 3.64205252 -0.90636343 -0.60670069 0.64486064 Al 1.87988486 5.53413763 3.63334806 -0.70368523 -0.85597907 0.38339168 Al 1.76467151 3.69437367 5.49315748 0.30940124 -0.23025882 2.28027545 Mn 0.01052056 5.45532840 5.51265107 1.85074708 -0.71647111 3.19964953 Al 3.68825805 3.65921862 3.65628842 -0.69049486 -0.01965426 -0.00098385 Pd 5.47931184 5.42411686 3.63413036 -0.04805146 0.59666044 1.75602077 Pd 5.50537089 3.66985379 5.45959136 0.35850132 -1.28030230 -1.55052582 Mn 3.65137487 5.47249280 5.50085621 -4.63664107 -2.05497709 -0.58002411 Al 7.30784149 3.62724828 3.68620410 0.97179057 -0.61596762 -1.59899473 Al 9.14354665 5.49191207 3.67184545 1.04391049 -0.13172146 -1.06762586 Al 9.14316908 3.65722845 5.49191416 0.91944468 -0.46036753 0.38406595 Al 7.30021959 5.46703720 5.48913334 -0.12510647 0.63127902 1.15476141 Pd 0.02090486 7.31892765 3.61446133 -3.04620800 -2.09411343 0.41929555 Pd 1.82920006 9.10153818 3.63169394 2.24450679 3.03408599 0.67812457 Al 1.80638660 7.33184226 5.50766074 -1.18884186 -1.95125357 0.94080467 Pd 0.00505738 9.11443470 5.44678574 -0.69806292 1.25012719 1.97942378 Al 3.61691404 7.27783474 3.67292390 2.25530179 0.29268384 -0.43143240 Mn 5.53332012 9.14554389 3.58941298 -0.41482382 -0.52273742 0.15648607 Pd 5.48644376 7.32087936 5.46493133 -0.21509446 0.86769199 -0.25628872 Al 3.68342162 9.14162256 5.46592536 1.70791120 1.00352726 0.20595560 Pd 7.33420288 7.25622103 3.66057697 1.37908310 0.38906278 -0.78170982 Pd 9.10491806 9.14843170 3.65502107 0.89084234 1.50830965 -1.15566899 Pd 9.15019237 7.34041893 5.49597692 1.95809221 -1.89347046 0.89756245 Mn 7.31133460 9.11035577 5.50604690 -1.61668769 2.05218364 2.44662871 Pd 0.00312251 0.02429633 7.32177781 -1.70285428 -0.95918733 -0.59176863 Pd 1.80509148 1.82597820 7.33071701 1.76208570 -0.27381090 -1.27655525 Pd 1.81582188 0.03432437 9.13369199 1.43423018 -1.18662559 2.15160585 Mn 0.02885926 1.83784252 9.10820554 -0.98946678 1.57655386 -1.41684248 Al 3.67549631 0.04573198 7.30780982 0.05766239 -0.67144992 -0.83275451 Al 5.50978098 1.81542548 7.27486277 0.41269627 0.12678944 -0.75269761 Pd 5.46747572 0.05209763 9.14977490 -1.00768252 -0.01948167 1.30208420 Al 3.68530891 1.86929969 9.13816246 -1.40200381 0.37120368 0.34745159 Pd 7.31693807 0.02431647 7.37121096 1.21619334 -1.96698048 0.06825970 Al 9.15846199 1.85257214 7.31475960 -0.60956871 -0.76238314 0.11531046 Al 9.14585676 0.00628013 9.14053456 -1.16766486 0.69749998 0.08381801 Mn 7.30325977 1.81626490 9.14403144 0.08000966 -0.13929073 0.92408081 Mn 0.02774786 3.66256221 7.27621210 -0.62363333 1.76276851 -0.80511885 Mn 1.83867027 5.45271716 7.29320125 -3.28832575 0.66621245 0.65444022 Pd 1.82476165 3.69723258 9.16742531 0.57253670 -0.67952043 2.68066867 Mn 0.02792046 5.44336330 9.15228362 3.39785691 3.26263857 -6.00182397 Mn 3.62916952 3.63884368 7.23401328 0.07354603 1.69953913 -0.08653425 Pd 5.48690821 5.50410581 7.30996091 0.66094385 -0.17739950 0.15144169 Al 5.46154661 3.64053064 9.10470748 -0.04261449 1.04888478 0.36398275 Mn 3.62964117 5.47557671 9.09810785 -0.15309130 0.54660431 -0.74824194 Pd 7.28895378 3.68753509 7.31733516 1.13368759 -1.86378336 -0.83182402 Mn 9.12495750 5.49786723 7.32711349 0.69852582 -0.22685194 -1.50838908 Pd 9.10669245 3.66680662 9.11202331 2.05148343 -0.91919003 1.04994468 Pd 7.28143520 5.48178886 9.10455492 0.60558447 2.06193607 3.29137896 Mn 0.01595854 7.28108198 7.28050957 3.33456338 -3.97962765 2.58440354 Al 1.80727043 9.10492320 7.31562077 0.21897768 -0.22245390 1.36196785 Mn 1.83512935 7.27019810 9.11586692 -2.08597129 -1.50492794 -2.02329478 Al 0.03020988 9.16761360 9.13295435 0.67390917 -2.04205426 -0.62366273 Pd 3.67004989 7.31009488 7.32290053 -2.10349285 2.52450241 -0.90933248 Mn 5.50431253 9.16505614 7.27742118 2.36009043 -0.57716642 3.99514399 Mn 5.49572415 7.27058308 9.10219547 -1.32261562 5.31265462 0.66065794 Mn 3.63960917 9.16397514 9.10884042 1.54145551 -3.18213452 -2.55809998 Al 7.30641512 7.32710615 7.27909917 -0.26999767 1.89024234 0.98684950 Mn 9.13384817 9.10147641 7.33365871 -4.97415227 -0.28524653 1.53338145 Al 9.16196088 7.29953526 9.14048494 -0.63154110 0.65086380 -1.12768676 Mn 7.29899189 9.16060787 9.10268744 -1.05852235 -3.32828407 -5.20839283