108 Lattice="11.370552533095026 0.0 0.0 0.0 11.370552533095026 0.0 0.0 0.0 11.370552533095026" Properties=species:S:1:pos:R:3:forces:R:3 energy=-337.0401132779637 stress="-0.008265309282277526 -0.00032626116813293065 -0.000955685552213579 -0.00032626116813293065 -0.00806779322982177 -7.688487025498291e-05 -0.000955685552213579 -7.688487025498291e-05 -0.008030109070773686" pbc="F F F" Pd 0.03410958 0.01447587 0.00472631 0.49059673 0.61725524 0.45365246 Pd 1.92386139 1.94107500 0.00100614 -0.18376001 -0.13547833 -0.25868798 Pd 1.87207210 0.01343258 1.84858984 0.23376755 -0.29100204 0.16438329 Pd 0.00874748 1.90124019 1.89770002 -0.25839226 0.04671855 -0.25944974 Pd 3.75893029 0.00765939 0.01959726 0.14895354 0.40093983 0.28717264 Pd 5.71915394 1.91206648 0.03421154 -0.27496882 -0.28919624 -0.75675560 Pd 5.71310708 0.02111183 1.87635332 -0.14263933 -0.51989529 -0.11128268 Pd 3.78330146 1.92915297 1.89973712 -0.03909481 -0.46101721 -0.31292708 Pd 7.64650498 0.02233107 0.01436100 -0.14384880 0.34860109 0.42773683 Pd 9.48903064 1.88195408 0.01696634 -0.43894438 0.25905540 0.51744278 Pd 9.50891459 0.02962554 1.92303918 -0.43451193 0.36767157 -0.14602328 Pd 7.54832881 1.92221885 1.88226406 0.93937812 -0.39181986 -0.11219374 Pd 0.00051724 3.76814921 0.03138227 0.35376242 0.12301569 0.26522307 Pd 1.90852889 5.71205666 0.00477216 -0.34065627 -0.07462627 -0.46545896 Pd 1.92954820 3.84229539 1.89594220 -0.44309679 -0.42690460 -0.26576019 Pd 0.00291101 5.67283443 1.91810186 -0.43955244 0.14846624 -0.45901695 Pd 3.81388482 3.82787209 0.00164986 -0.11715655 -0.24471435 -0.47547537 Pd 5.67206202 5.65699150 0.00553216 0.30930733 0.22020508 -0.41750266 Pd 5.71473209 3.75526857 1.91117373 -0.39557447 0.68069459 -0.30207903 Pd 3.77420422 5.70306461 1.91566147 0.16594464 -0.32778770 -0.26393611 Pd 7.58208732 3.81343495 0.00586607 0.28387414 -0.15586287 -0.43000847 Pd 9.48413427 5.64766183 0.00215101 -0.25198056 0.21953517 0.37557658 Pd 9.47651932 3.81650664 1.92592765 0.39119275 -0.48849987 -0.40681564 Pd 7.60587281 5.68045125 1.91508073 -0.20855353 0.21413734 -0.28588470 Pd 0.01114063 7.60847710 0.03103829 0.35987638 -0.16584977 0.39101930 Pd 1.88974907 9.47017835 0.03190803 0.19194614 -0.38747180 0.30160033 Pd 1.90843854 7.56921637 1.89622363 -0.35433489 0.40212627 -0.22861005 Pd 0.02703633 9.50344968 1.86492591 0.32673227 -0.45776723 0.20388407 Pd 3.80569783 7.56550126 0.03544452 -0.12168698 0.42969953 -0.66001434 Pd 5.74529600 9.47690163 0.02904497 -0.23132627 -0.35631062 0.21211679 Pd 5.65358341 7.54640881 1.86924488 0.55610904 0.47415180 0.12989649 Pd 3.78963751 9.49215998 1.91930545 -0.05556515 0.33989228 -0.37144973 Pd 7.61539444 7.55998450 0.03728927 -0.09237189 0.00314212 -0.45997570 Pd 9.50484411 9.45508072 0.01601903 -0.61540337 -0.52727869 0.55973212 Pd 9.45053406 7.61165109 1.91368091 0.47070314 -0.16728782 -0.03480745 Pd 7.57015583 9.46299013 1.87675941 0.16847651 0.32702532 0.21435062 Pd 0.02253401 0.02147290 3.73596876 0.15992239 0.16014911 0.14318122 Pd 1.89318241 1.88509571 3.75656428 0.01457554 -0.05623435 0.09551655 Pd 1.88729393 0.00656526 5.65994084 0.05859331 -0.48892751 0.14969083 Pd 0.03598898 1.90454976 5.67925061 -0.78975746 -0.25183923 -0.16231372 Pd 3.81170648 0.01395633 3.79087868 -0.23217887 -0.45765003 -0.26747962 Pd 5.68742440 1.89951490 3.75414365 -0.03044558 -0.33936290 0.54007552 Pd 5.67903803 0.02249207 5.66806836 0.26363030 -0.42353612 0.10808370 Pd 3.75837265 1.88691911 5.71453549 0.18197275 -0.19095002 -0.31196335 Pd 7.61340121 0.00994442 3.76070674 -0.08080363 -0.38420505 0.21178427 Pd 9.43864133 1.88447708 3.77081204 0.53770020 0.08365249 0.14276327 Pd 9.50151293 0.02381808 5.73410673 -0.34102592 0.32706564 -0.18265259 Pd 7.59048060 1.90320863 5.70005975 0.21874741 -0.35669978 -0.19846698 Pd 0.03373517 3.78969249 3.76873864 -0.66757069 -0.14504990 0.04103540 Pd 1.86622587 5.70336767 3.80448179 0.19036851 -0.19422114 -0.02944025 Pd 1.86618921 3.77761005 5.70856822 0.38431132 0.23547469 -0.24623888 Pd 0.02717998 5.65687154 5.69752908 -0.78866173 0.42108427 -0.11507021 Pd 3.77724542 3.80084323 3.81471854 -0.04968919 -0.22331824 -0.02605285 Pd 5.65648874 5.67713154 3.79045815 0.40442130 0.26574456 -0.09681035 Pd 5.70873938 3.77942921 5.69445023 -0.40672938 -0.15090025 -0.36995904 Pd 3.81559635 5.70654865 5.66853266 -0.36120201 -0.17488521 0.46605720 Pd 7.55848937 3.79312761 3.80158490 0.38471003 -0.12552251 -0.08043888 Pd 9.47157806 5.65124139 3.75714551 0.51771370 0.45113935 0.24831040 Pd 9.46115715 3.80928001 5.67186516 0.54879237 -0.23487494 0.17742593 Pd 7.56163646 5.68401726 5.67426666 0.35961957 0.39961712 -0.22329883 Pd 0.03330479 7.56467773 3.76280044 -0.63727982 0.35535409 0.08655761 Pd 1.87335198 9.48655304 3.77461336 0.00292365 0.33778570 -0.01686586 Pd 1.92245860 7.56660417 5.67202551 -0.41544694 0.39491974 0.12759700 Pd 0.01335471 9.46300668 5.65246474 0.29505187 -0.39217933 0.15391681 Pd 3.77542077 7.58085699 3.76699744 0.08709660 0.30696408 0.08967057 Pd 5.65917761 9.49329868 3.77312312 0.42963495 0.39006534 -0.18870819 Pd 5.67037378 7.63464730 5.70586928 0.13864800 -0.41272841 -0.20342963 Pd 3.82709499 9.47429887 5.62458249 -0.57406233 0.64989137 0.30089342 Pd 7.55514792 7.60510974 3.80495191 0.21804794 0.12344584 -0.18719509 Pd 9.51216251 9.48365923 3.77794677 -0.60094499 -0.35378892 0.08189843 Pd 9.48502773 7.55901528 5.63393221 0.19148101 0.33403611 0.21245847 Pd 7.55218946 9.47211512 5.73264476 0.53716349 0.40580970 -0.27809698 Pd 0.02426295 0.00093366 7.55531632 0.29814702 0.31286310 0.03194043 Pd 1.84643711 1.90393710 7.54682795 0.39331238 -0.43380164 0.67662524 Pd 1.90524659 0.02852664 9.44475694 0.10295071 0.41173068 -0.40590142 Pd 0.00195511 1.86014294 9.46864133 0.36284146 0.14216040 -0.48735607 Pd 3.84307458 0.00541670 7.60476585 -0.31129840 -0.18629090 0.07106265 Pd 5.69888985 1.93247456 7.56265606 0.08578079 -0.69208239 0.49292317 Pd 5.72168968 0.02493066 9.51011281 -0.08344676 0.28036786 -0.44932815 Pd 3.81423841 1.92322989 9.48659246 -0.14693317 -0.34463889 0.18988050 Pd 7.61143315 0.03494323 7.57714192 -0.34257300 -0.49369971 0.05005428 Pd 9.45245227 1.89456047 7.61580521 0.34809617 0.36031179 -0.02084458 Pd 9.43819306 0.03571172 9.46936122 -0.38534774 0.36034554 -0.40032044 Pd 7.56477906 1.86084851 9.49815157 0.11433283 0.46900310 0.15916077 Pd 0.01562990 3.82271725 7.56439803 -0.71883014 -0.39340933 0.42497124 Pd 1.85917680 5.70301944 7.60010816 0.51131279 -0.19101976 0.01717263 Pd 1.89119241 3.74342665 9.46544072 -0.16250309 0.07936752 0.33341385 Pd 0.00204680 5.67160923 9.45151560 0.25558675 0.07408285 -0.06666314 Pd 3.80732343 3.76351879 7.56967744 -0.42176118 0.37028283 0.24599792 Pd 5.71812760 5.65637980 7.55100896 -0.63626214 0.69882333 0.65074191 Pd 5.69768000 3.79868613 9.47244589 0.00029233 -0.11891111 0.56899244 Pd 3.75636440 5.65082054 9.47270131 0.17091313 0.29964699 0.25641764 Pd 7.54884575 3.82649393 7.55231272 0.87430166 -0.49208087 0.65574933 Pd 9.45996056 5.71661380 7.55213593 0.38385005 -0.12165176 0.23792974 Pd 9.44159714 3.83699817 9.47565721 -0.36277521 -0.18271714 -0.40630784 Pd 7.55155084 5.66990685 9.49078978 0.12541010 0.38210845 0.29634928 Pd 0.02471551 7.57195931 7.59237229 -0.53449739 0.28300317 -0.15792485 Pd 1.91005679 9.44133166 7.55164581 -0.18923376 0.58591796 0.05841378 Pd 1.87631296 7.61189437 9.44459183 0.15401434 -0.05002182 0.60303268 Pd 0.00368737 9.45813179 9.50985848 0.58679419 -0.53549979 -0.68913894 Pd 3.76690255 7.59340471 7.58540481 0.25827052 -0.14501494 0.20959494 Pd 5.65342416 9.49386000 7.54312803 0.21928737 0.47030156 0.48106992 Pd 5.65593038 7.64883447 9.47190155 0.16959185 -0.44011476 0.15218876 Pd 3.81682412 9.50608794 9.44723335 -0.26081735 -0.22320984 -0.23367100 Pd 7.56928617 7.55765090 7.57173716 0.19704422 0.55218034 0.36906357 Pd 9.49243391 9.47262718 7.58372627 -0.66888155 -0.63126969 -0.04274012 Pd 9.43988819 7.56698456 9.44534437 -0.45515390 0.09763623 -0.32002156 Pd 7.53753778 9.50137943 9.50359559 0.11165527 -0.59358727 -0.76463576