500 Lattice="17.385255434849576 0.0 0.0 0.0 17.385255434849576 0.0 0.0 0.0 17.385255434849576" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1043.9012819630257 stress="0.0007952879984854072 0.0033499366094343758 -0.0030594116660316493 0.0033499366094343758 -0.00815869642029546 -0.004295361867038435 -0.0030594116660316493 -0.004295361867038435 -0.0015075461805590742" free_energy=-1043.9012819630257 pbc="F F F" H 0.01020793 0.03919298 0.03282528 0.07590040 0.06210069 0.09425536 H 1.75974418 1.67495720 0.00146485 0.46782790 0.28453384 0.30898047 H 1.74922240 0.03666546 1.73099696 0.62351834 0.35216513 0.69035808 H 0.03375360 1.76164419 1.71108945 0.38312833 0.67568138 0.61216724 Pd 3.49597755 0.03444743 0.00242270 -0.86120902 1.05066990 0.57901426 H 5.24039032 1.76760953 0.03185305 -0.76016521 -0.49612480 0.74174909 Pd 5.24479205 0.02647122 1.75707560 2.43135507 -0.26353666 -0.90621692 Pd 3.47958014 1.75281329 1.72138437 -1.16424173 -1.07940627 -3.73077958 H 6.94047493 0.01925198 0.00917049 0.27355052 0.36017088 0.73328781 Pd 8.72561684 1.73974397 0.02920593 -2.01186408 -0.95673802 -1.22918011 Pd 8.69640992 0.01126821 1.76588230 -2.29188322 -1.62057041 -1.09030191 H 7.00652531 1.76172926 1.71402606 0.27926532 -0.01394373 0.30686541 H 10.49701683 0.02914419 0.02113916 -0.30503036 0.62565061 0.98304602 H 12.17969712 1.74672319 0.03927624 0.01461628 -0.38871435 0.44444737 Pd 12.17508860 0.01323981 1.75764982 1.58234131 -0.58766298 -1.26611993 Pd 10.44632960 1.68427269 1.71937099 2.46549936 -0.05366279 -3.19951130 Pd 13.91756250 0.00090576 0.00983991 0.03337896 1.49036799 1.32357140 Pd 15.61621218 1.76557525 0.00564638 -1.40127402 -0.05545878 1.28905846 H 15.63219059 0.03371601 1.71476837 -0.51798817 0.87280166 -0.52617539 H 13.94186305 1.73762025 1.75383699 0.62582233 -0.30954827 -0.49147935 Pd 0.03127337 3.46004419 0.03626665 0.18199289 -1.58178598 0.26222186 Pd 1.76613089 5.20473737 0.00445527 -0.37894219 0.79347610 -1.43691657 Pd 1.71309239 3.46678776 1.74643774 -0.79956539 -2.43860953 -3.01499658 Pd 0.00942597 5.22574578 1.75255314 -1.37199824 2.86303646 -0.48333876 H 3.44712347 3.44273688 0.01598078 -0.27497023 0.31546627 0.82260901 H 5.24046078 5.22232190 0.02938193 -0.67772916 0.02861291 0.37970290 Pd 5.19583898 3.51047881 1.73326393 2.68075054 0.75693154 -3.64347282 Pd 3.44457166 5.18086495 1.76982780 2.14034328 2.08534421 -2.13519904 H 6.95920522 3.47066805 0.01707518 0.33704146 -0.25197341 0.32408440 H 8.71462267 5.19630588 0.06196809 0.63598146 -0.57115334 0.41110166 Pd 8.68583192 3.46212664 1.76512049 -3.52051185 0.84962261 -3.38369657 H 6.90808910 5.18458276 1.76819591 0.34911522 -0.35856058 0.50358922 Pd 10.41543017 3.49025256 0.02637662 2.01457900 0.52468665 -1.52131701 H 12.16459018 5.19230906 0.01596013 0.14832109 0.03024046 0.43711813 H 12.18756845 3.44453950 1.78393007 -0.55765036 0.30537631 0.00862854 Pd 10.40388650 5.19153807 1.71004179 1.37813057 2.57410865 -3.80829294 H 13.93458221 3.48393683 0.00009192 0.79061052 -0.24724840 0.65121370 H 15.64295141 5.23827954 0.02351754 -0.89546581 0.05317322 0.71155931 Pd 15.64271892 3.43845897 1.73485025 -0.99504452 -0.21143808 -0.62350884 Pd 13.90264687 5.21792990 1.73177847 -0.48612261 -1.26913683 -2.01317603 H 0.01346022 7.00098463 0.04364888 0.82595699 -0.25155614 0.34260931 Pd 1.76496029 8.69078280 0.02686516 -0.46380963 0.71430388 2.09266100 H 1.73110741 6.96936595 1.78977960 0.49074422 -0.23637654 -0.44021702 H 0.01966344 8.72597730 1.73169719 0.66415754 -0.00563011 -0.00394757 Pd 3.45589969 6.92466959 0.03041827 0.93831870 0.55581469 0.68683246 Pd 5.27067306 8.71750042 0.00323196 0.25789128 0.53869811 2.13885546 H 5.21234811 6.94204459 1.76669464 -0.48151004 0.66001580 -0.17487020 H 3.45122669 8.68962117 1.74480924 -0.05641532 -0.41482717 -0.36396920 H 6.92794906 6.93359541 0.02062768 -0.28938481 0.55378671 -0.03893223 H 8.72542525 8.73444644 0.06096919 0.33695770 0.34174758 -0.10000019 H 8.70628008 6.91783348 1.74133640 0.19043316 -0.25062862 0.62953651 H 6.92515922 8.65059504 1.71158791 -0.54635515 -0.11662219 0.02914733 H 10.48908022 6.94315330 0.01820904 0.25755020 0.27790803 0.19115250 Pd 12.19518370 8.68562171 0.01017504 0.36296914 0.09985850 2.03275263 H 12.14648845 6.91423735 1.75727903 0.42685384 -0.28108124 -0.10600995 H 10.40865111 8.73552076 1.71193413 0.47103929 0.20257634 -0.52339524 Pd 13.95004838 6.90823615 0.01805495 0.44688812 0.38001133 1.18379068 H 15.64393593 8.68229297 0.01135567 -0.49411655 -0.05442994 0.46119026 H 15.66034559 6.93696190 1.75083056 -0.94746064 -0.56064849 0.24497944 H 13.89831331 8.65769380 1.69427603 -0.10749111 -0.05935955 -0.28849404 H 0.03198208 10.44271154 0.01981214 0.84326647 0.53262921 0.48603568 Pd 1.75047652 12.19936123 0.00977576 0.73959474 -1.08632548 1.33163454 H 1.67209848 10.43509878 1.72150553 -0.09071436 0.27440986 -0.40953015 Pd 0.01423709 12.11731161 1.71707016 1.45212612 -0.45289730 1.18260783 H 3.47041160 10.37498528 0.05664421 -0.35446064 -0.37787255 -0.07472973 H 5.22823658 12.16445905 0.03882162 -0.39639284 0.57643440 0.32125717 H 5.23760295 10.39789601 1.74136782 -0.07195036 -0.35597096 0.01760986 H 3.46290787 12.18462607 1.74469687 0.15697745 0.53905888 -0.49131183 H 6.98006050 10.43051190 0.03800550 0.01529847 -0.01305427 0.01225827 Pd 8.71059677 12.15758025 0.02838568 -0.56451958 1.20961892 2.01194935 H 8.72071850 10.42379808 1.74983196 0.27749211 0.53676858 -0.80588561 H 6.92842061 12.14995785 1.76342555 -0.11953638 0.29634180 -0.11374931 Pd 10.43798153 10.40825191 0.00220192 -0.55221968 -0.75661880 1.72908353 Pd 12.16877646 12.15683178 0.03349358 -0.97640484 -0.81424771 -0.50152868 H 12.18028132 10.45973431 1.71915253 0.04457242 0.12382778 -0.71316267 H 10.46722402 12.19337038 1.74554583 0.00937666 -0.17529093 -1.00068081 H 13.92704363 10.40327418 0.02458918 -0.02194126 0.54283074 0.56101760 Pd 15.66354897 12.19446432 0.00189712 0.02788341 -0.62891254 -0.69577132 Pd 15.60870578 10.44026312 1.72594840 -0.01760213 -1.63013443 -0.29063376 Pd 13.91985465 12.17644793 1.74846165 -0.74971597 -0.78357586 1.77833714 Pd 0.00568202 13.87370166 0.00830073 1.23550461 0.76152523 0.85968130 H 1.77916904 15.66888379 0.00910115 0.05376481 -0.90972163 0.91475615 H 1.75731277 13.92940781 1.70704530 -0.45574212 0.22880678 -0.64479052 Pd 0.02340077 15.66040946 1.77135806 1.42646459 -1.64582481 -0.12860037 Pd 3.45358391 13.93612917 0.02630855 -1.39078252 -0.61107746 -0.00705191 Pd 5.19723220 15.64493857 0.00317646 0.86855078 -0.07254680 -0.56204399 Pd 5.24331394 13.89282639 1.69590969 1.16365197 -1.23723307 0.43616617 Pd 3.46022495 15.63021194 1.74301465 -1.02096664 0.02504320 0.84516946 H 6.93233896 13.87737927 0.00562042 0.09706636 0.69427588 0.64721982 Pd 8.66721309 15.67478334 0.00264932 0.15789353 -1.75178663 0.44239830 H 8.65324844 13.89023332 1.71422869 0.09891142 0.87515870 -0.43772732 Pd 6.95909461 15.67690964 1.70925334 -0.04533691 -0.77612168 0.69669919 H 10.46137955 13.90364796 0.03148587 0.14465054 0.32383334 0.56433058 Pd 12.17437998 15.63863661 0.00116813 -0.67431093 -0.04928968 -0.73836582 Pd 12.15372298 13.93871195 1.72021925 -1.93910935 -1.81949229 1.63601342 Pd 10.39714681 15.62787110 1.75870821 -0.93815245 -0.54351362 -0.50437460 Pd 13.96086671 13.87399704 0.03144948 -0.11748965 0.40445259 -2.82016950 Pd 15.64425129 15.59664293 0.04820114 0.00953132 0.05090078 -0.30072909 Pd 15.66723683 13.90260228 1.76586650 1.24276850 0.02381526 2.68018422 Pd 13.93468776 15.62295090 1.73403957 0.84111538 1.45025628 1.81806168 Pd 0.00371341 0.02212439 3.45314552 0.35263633 0.99245191 -0.67890058 Pd 1.73207634 1.74548242 3.44467627 -1.78029365 -0.82673037 1.28189989 Pd 1.71051948 0.02771565 5.20768156 0.42225605 0.77440370 2.05522378 H 0.03549076 1.77043147 5.26181090 0.34266010 -0.61888217 -0.16351965 Pd 3.45678575 0.03093776 3.53938177 -0.83200132 -1.89672391 -0.25852332 Pd 5.20366844 1.75689825 3.50633403 2.17462367 -0.91133120 2.09462191 Pd 5.19927468 0.00132005 5.23365240 0.98577163 0.80631962 1.86147367 H 3.49306206 1.72228260 5.22321086 0.01913554 -0.78381774 -0.80521220 H 6.96274651 0.03630692 3.52474647 -0.15133602 0.22181238 -0.04342890 Pd 8.71324484 1.76659409 3.43361292 -4.11023187 -2.09867227 0.20843177 Pd 8.69049633 0.01284520 5.16300294 -3.27345066 -1.87237752 0.45090293 H 6.96318986 1.74267788 5.24703861 0.30049439 -0.05055928 -0.28572800 Pd 10.39571946 0.02739632 3.50184754 0.41358210 -4.05746596 -0.57899500 Pd 12.19120611 1.73929063 3.44350941 4.01002373 0.92671338 -2.65538505 Pd 12.17177134 0.00128922 5.15585120 2.18638365 -3.18092018 0.43674974 Pd 10.44487880 1.73314630 5.18102022 -0.23702850 0.39842203 2.03938946 H 13.89246720 0.02795203 3.44863095 -0.11535172 0.66573209 0.57482836 Pd 15.64883508 1.76519258 3.47823614 -0.59425409 -1.11384089 -2.02144861 Pd 15.61635827 0.00387357 5.22604284 -1.12813800 0.35612432 0.55954532 Pd 13.93456809 1.76206875 5.18441536 1.36738118 -0.49899729 1.19179958 Pd 0.00909555 3.50101823 3.49959421 -2.08097463 -2.40714052 0.96350636 Pd 1.73908530 5.19724723 3.47588888 -1.67653696 1.51134952 -0.13111992 H 1.72783113 3.45235069 5.21017070 -0.36308723 0.66228514 -0.23070120 Pd 0.02729385 5.21293718 5.16630678 -1.89022541 0.84888910 0.50162235 Pd 3.48391676 3.47879068 3.45710938 0.77264910 -0.49708097 3.76480018 H 5.21024514 5.26847288 3.42457055 -0.38764337 -0.30982509 0.06557634 H 5.22530410 3.46007098 5.22378092 -0.23922904 0.04033499 -0.53823505 Pd 3.47376341 5.22130913 5.19195560 3.24113913 -1.15939169 2.44032953 Pd 6.92581320 3.47049005 3.50318764 -2.23040507 1.00109545 0.95614132 Pd 8.71432509 5.21445322 3.45026944 -1.55900029 1.29915080 0.16803344 Pd 8.68068397 3.48865428 5.21245964 -1.18593885 2.10317947 3.71891718 H 6.97281047 5.18067133 5.22033364 0.50010855 0.06619273 -0.53750884 Pd 10.41589291 3.44999489 3.48212949 1.79878973 1.45087175 -0.21580582 Pd 12.14556588 5.19764931 3.45050692 1.87289640 -0.96472807 -0.00574444 Pd 12.15797032 3.46716299 5.24699403 1.57812845 3.52770514 2.15135721 H 10.41557288 5.16578749 5.25684529 -0.04696493 0.32359674 -0.43883561 H 13.90719496 3.50082210 3.43350453 0.82422945 0.01068451 0.16402837 Pd 15.66699960 5.23831510 3.48928905 0.55345036 -0.57369111 -0.22629913 Pd 15.64668279 3.45024514 5.20455180 -0.31741334 0.61121303 1.01320659 H 13.92306319 5.25987192 5.20752652 0.66058728 0.18703607 -0.38739405 H 0.02437921 6.93216026 3.46748637 0.49948824 -0.51867462 0.19082549 Pd 1.71902050 8.68612820 3.44763640 -2.29265964 1.33266231 -3.41813892 Pd 1.73948689 6.96543718 5.20607108 -2.62365469 0.95814309 0.91502087 H 0.03187101 8.70316378 5.15360272 0.99425310 0.09705053 0.02592452 Pd 3.47583433 6.98061840 3.44801818 1.93194341 0.01681091 -2.62521459 Pd 5.22211196 8.67002435 3.47915840 -0.00137960 1.19369887 -3.70934523 H 5.17359869 7.00097767 5.23219191 -0.00988018 0.30443499 -0.68450678 Pd 3.51119438 8.70068737 5.21768482 1.68165080 -0.85038435 1.29195580 Pd 6.98825132 6.95198894 3.49866797 -1.45036714 -1.19729204 -2.73801097 H 8.65394411 8.68396457 3.50880357 0.00242123 -0.42050912 0.66006059 Pd 8.68456498 6.98735688 5.21351715 -0.90409129 -1.32634885 2.21946888 Pd 6.95982114 8.69229886 5.19287257 0.07101164 0.20637907 2.41005746 Pd 10.43183487 6.93488298 3.45806693 0.20476905 2.71644356 -2.51275963 H 12.16848927 8.65704363 3.44123121 0.23295200 -0.21739086 0.50576089 Pd 12.14865718 6.95110214 5.24519723 1.66966989 -2.62294786 0.93308963 Pd 10.44643694 8.71348848 5.18933809 0.12726618 2.29073824 -2.54281019 Pd 13.90982410 6.97381486 3.50643802 0.23842387 1.74771938 -2.48814660 H 15.64997259 8.73557497 3.46571303 -0.78010482 0.09441800 0.09330374 Pd 15.62638789 6.94122079 5.19192993 0.51194798 0.53591714 1.37097259 Pd 13.88509388 8.70876918 5.22855866 1.70936684 0.74992053 -0.21124938 H 0.02518365 10.43278934 3.45299493 0.54310042 0.23341700 -0.14458579 H 1.76946350 12.15132724 3.46795369 -0.51254317 -0.09548579 -0.16707958 Pd 1.70783267 10.46274553 5.20001431 -2.11930026 1.89731918 -2.03409070 H 0.02049522 12.17014864 5.20817189 0.62715517 -0.26968490 0.18259803 H 3.48897532 10.45989248 3.52018751 0.14413948 -0.45408188 0.33639313 Pd 5.21066755 12.19815389 3.44755209 -1.21638519 -0.80817790 -2.11011457 Pd 5.25906601 10.43330196 5.23836878 -0.19077595 1.31074816 1.08756282 H 3.51243443 12.18881966 5.22300948 0.08691245 -0.09840395 0.34692217 H 6.95244903 10.39727749 3.47634198 -0.42519860 0.10786163 0.75378529 H 8.70472274 12.18338754 3.43269046 -0.18317558 -0.28175936 0.32371924 Pd 8.72485739 10.40974330 5.19557880 -0.36373247 0.32190429 -2.10887935 Pd 6.98173785 12.18689882 5.19331030 1.07777066 1.47629956 -0.09866791 H 10.39623519 10.44674423 3.50735184 -0.20482423 -0.21727694 0.23798417 H 12.20065093 12.23613464 3.44238370 0.53350062 -0.18531804 -0.32451703 H 12.19686873 10.43515279 5.21530311 0.58155895 -0.14093934 0.45673654 H 10.40366679 12.16389455 5.23377746 -0.21668445 -0.19262793 0.66284950 Pd 13.92916121 10.44553095 3.50404243 -0.75496213 -0.92100158 -0.49615379 H 15.65678745 12.16764787 3.42222459 -0.70759826 -0.03592143 -0.41650580 H 15.65311885 10.43352723 5.26115362 -1.00955272 0.48375771 0.21220979 Pd 13.94208628 12.17518207 5.24897305 -0.80193415 1.57253464 -2.26779202 H 0.05898218 13.91259518 3.46607864 0.42629398 0.39817127 -0.86812361 Pd 1.77073287 15.66997163 3.47757802 -0.68979259 -2.13357311 0.17719297 H 1.75609843 13.92900842 5.25075402 0.55799186 0.36778416 0.00143654 H 0.01130272 15.64037086 5.21743000 0.50703936 -0.07490419 -0.46085268 H 3.49134268 13.93553673 3.50251636 0.16721989 0.63243166 -0.18297626 H 5.18015530 15.64510957 3.49467501 0.01989219 -0.40296260 -0.07127091 Pd 5.22128421 13.91605125 5.21669172 -0.13919093 -0.23804722 -0.94062884 Pd 3.45745354 15.67719033 5.21811777 -0.86842786 0.11098790 -0.94984107 H 6.98958592 13.89428101 3.50451564 -0.51344028 0.43449991 0.08023066 Pd 8.69227371 15.68076609 3.47391268 0.59670846 -1.67776116 0.53895607 H 8.69644960 13.89586071 5.18523138 -0.29210135 0.49314684 0.32147313 Pd 6.98834120 15.64735885 5.20082502 -0.12534283 -0.59511318 -0.77481817 H 10.43485181 13.93816525 3.47867170 0.19788857 0.97057632 -0.71286740 Pd 12.14203758 15.62210683 3.48920285 -0.45540073 -0.67162410 1.61762962 H 12.16778177 13.87974551 5.24284801 0.28420031 0.19813908 0.06485903 H 10.41284827 15.64602981 5.26253514 -0.32119857 -0.21294172 -0.15912371 H 13.90225176 13.88279496 3.52129189 0.17384991 0.58791184 -0.04977000 H 15.65534912 15.62872471 3.41605754 -0.79808490 -0.79192621 -0.03528618 Pd 15.66904237 13.91107686 5.24613761 -0.30208341 1.03342695 -0.95087827 Pd 13.93613268 15.64778037 5.21023023 -0.16234894 -1.36427909 0.72249595 Pd 0.02022835 0.01135607 6.96115562 0.34249095 1.17115739 -0.90655912 H 1.71805075 1.73085740 6.98245103 -0.93680438 -0.54766792 0.76748620 Pd 1.75006252 0.03136111 8.69196689 0.82896577 0.87194515 -0.22919872 Pd 0.02701508 1.74785123 8.69820005 0.06179265 -0.32526226 1.44390780 H 3.51355654 0.00532634 6.93881460 0.04869646 -0.07086559 0.06439957 H 5.21963719 1.72360675 6.91975062 0.19606044 -0.66209239 0.48308465 Pd 5.20538193 0.03161096 8.68502727 -0.42930021 0.91198529 -0.73536675 H 3.49200584 1.70793779 8.68078838 -0.24674175 -0.55451453 0.52073207 H 6.95289349 0.00942613 6.91721825 -0.22205269 0.44618070 0.12465720 Pd 8.72101084 1.75452738 6.95566004 -1.17986916 0.65369660 2.23791732 H 8.68676870 0.00167067 8.71566665 0.01165838 0.85757032 -0.22944835 Pd 6.92180643 1.74958030 8.65862816 -1.14794925 -0.32857386 -1.18558775 Pd 10.41031753 0.00789628 6.98634075 -0.85279427 -1.82512646 1.72716676 Pd 12.14823850 1.72455624 6.96132151 1.53921334 1.64540416 3.34033751 Pd 12.16072168 0.00933108 8.67216405 1.00209783 0.89011840 1.96193334 H 10.43652418 1.74004148 8.65343287 0.11538410 -0.74419837 -0.37385809 H 13.91869650 0.04807878 6.95377746 -0.48305419 0.43033719 -0.53680131 H 15.59646346 1.79089753 6.96068467 -0.11900274 -0.06041379 -0.96400187 H 15.67128453 0.00194510 8.73006650 -0.14866342 0.57875210 0.33833547 H 13.88780950 1.73370583 8.72627843 -0.17760010 -0.00682387 0.37667500 Pd 0.03960383 3.47238954 6.94134433 -0.36912025 -1.44297677 -1.18255152 Pd 1.73277964 5.25872869 6.97730982 0.65949590 -0.51307684 0.79647492 Pd 1.75228462 3.47417720 8.69803124 0.63414156 -1.63955702 -0.31304819 H 0.00335757 5.18299298 8.64948172 1.00727081 -0.32135165 -0.29061605 H 3.43982509 3.51149932 6.96926059 -0.38653045 0.32196726 0.07045562 H 5.21340401 5.20732887 6.93955538 -0.19223232 -0.03822834 -0.28912422 H 5.22552377 3.44806025 8.67831102 0.22268503 -0.17001190 0.62227684 H 3.47690885 5.27570008 8.67451358 -0.72811792 -0.21360000 0.61094865 H 6.92832228 3.44779430 7.00772178 0.41770451 -0.60442112 0.01226258 H 8.63333935 5.21922932 6.97205342 0.25561018 0.46646699 -0.10839428 H 8.65809795 3.46435430 8.68235086 -0.50742769 -0.67287390 0.63787834 H 6.91058085 5.19511663 8.66002306 0.24550087 0.14443094 0.87532944 H 10.40624555 3.44242685 6.97815012 -0.03235834 -0.69263782 -0.48684575 H 12.14670429 5.17009316 6.94718211 0.24351513 0.26184951 -0.00688058 H 12.18102375 3.47772322 8.72065347 0.68781237 0.32764539 0.33307232 H 10.43864352 5.19941436 8.64552228 -0.23660822 0.48031285 0.31243429 H 13.91677280 3.49578446 6.96616276 0.19353849 0.18085665 -0.32777104 Pd 15.66687130 5.21425141 6.99429087 -1.06252189 -0.11346728 0.36527797 H 15.63819291 3.50858875 8.73738652 -0.63475545 0.16004481 0.21063230 Pd 13.90358475 5.24538308 8.69847026 0.40123259 1.01767791 -1.21996493 H 0.03284181 6.98228804 6.98033923 1.01035817 -0.23612718 -0.25386011 Pd 1.74869541 8.64182922 6.95776224 -2.10307272 0.56923523 2.02339695 Pd 1.70533062 6.94340431 8.66662186 -1.22731272 1.26954702 0.66801777 H 0.02480777 8.67324311 8.67571668 0.48912728 0.12643225 0.03515778 H 3.49135567 6.96086600 6.97699661 -0.96970703 0.01087293 -0.35347229 H 5.19124572 8.73899510 6.93618710 -0.04129393 0.40445860 -0.34850329 H 5.24594548 6.94733380 8.72329092 0.22350607 0.41003261 0.74916310 H 3.43383280 8.73734727 8.70841973 -0.14535296 -0.33929407 -0.15659133 H 6.93133230 7.01981130 6.97898267 0.37827019 0.27782272 0.00132976 H 8.62737300 8.73914349 6.93038100 0.29265353 -0.42628684 -0.46496566 Pd 8.71722195 6.97224180 8.70109615 1.30764631 -1.20999340 -2.07167208 Pd 6.95094617 8.68017569 8.68871088 -1.03160955 2.40400331 -3.71963324 Pd 10.42383310 6.98716360 6.93611807 -0.15809093 -2.31730321 2.51812333 Pd 12.15629922 8.74273044 6.93702312 1.16317643 -0.23710352 3.53481846 H 12.22311982 6.92899739 8.67168451 0.22259754 -0.41594607 -0.20461651 H 10.46697986 8.69787753 8.70882030 -0.30641063 -0.19329624 -0.41792941 H 13.93648851 6.90436752 6.91267420 0.33781763 -0.02543728 -0.17908013 H 15.67229581 8.73469125 6.92029307 -0.59514842 -0.20474988 -0.37085007 H 15.65663326 6.93958768 8.65353526 -0.38414538 -0.68340389 -0.38581944 H 13.90922104 8.74217741 8.71393603 -0.11616515 0.35498129 -0.28519705 H 0.00260920 10.44626025 6.95500815 0.71693969 0.33506860 0.00657671 Pd 1.72166333 12.18054497 6.95093728 -2.68188378 0.39965850 -2.18009657 H 1.74457644 10.45694621 8.68347402 -0.17411882 0.60776777 -0.44101809 Pd 0.00179728 12.19638047 8.68635089 -0.59716016 -1.01315707 -0.49480915 Pd 3.47514647 10.46941974 6.96336565 1.91822015 -0.47912996 1.81258603 H 5.26886876 12.18661651 6.97333760 -0.31791947 0.23025695 0.09452222 H 5.21724975 10.39013796 8.74240724 -0.02734869 -0.08158407 -0.04045787 Pd 3.45488020 12.16919727 8.67008378 0.74079316 -2.23090097 3.79276468 H 6.93356351 10.40810409 6.92614055 0.05882197 0.21955203 -0.52330603 Pd 8.71547720 12.21861124 6.96577694 -1.89947494 -0.35634012 -1.94884385 H 8.66406981 10.43742983 8.65078869 0.14907282 0.31093775 0.19566751 Pd 6.92265474 12.16118495 8.69667957 -2.34977566 -3.37118602 -1.47217396 Pd 10.42863538 10.46026345 6.93517392 0.00457097 -1.35866021 0.97371283 Pd 12.15152213 12.23639407 6.93670597 2.14637022 -0.09085774 -1.64053377 H 12.12276730 10.41127768 8.72718560 0.07126096 0.17475734 -0.46633307 Pd 10.45263868 12.16444589 8.66634839 1.21306766 -2.27537653 1.77623841 Pd 13.90932693 10.39655336 6.97440430 1.53621506 -0.37209467 2.37357777 Pd 15.61485236 12.19264422 6.95498764 0.58940384 -0.53677146 1.35018699 H 15.65964512 10.44782971 8.71624063 -0.47814878 0.62779248 0.01944932 H 13.90897284 12.17690235 8.72269916 0.58017482 0.15289196 0.00268515 H 0.00475790 13.91836385 6.92237532 0.46367966 -0.24898747 1.08283855 H 1.70753917 15.67779601 6.98695473 0.12635166 -0.47675420 0.38503595 Pd 1.72681765 13.92711378 8.72531649 0.65926519 2.34558944 1.00210339 Pd 0.00588828 15.62507621 8.66946315 0.92069365 -0.42466843 -0.82332514 Pd 3.47030987 13.88814816 6.97388008 -1.07150533 0.93440707 -1.76373130 Pd 5.20029191 15.65898183 6.97729560 1.14767415 1.26276926 1.51285493 Pd 5.17745733 13.88900891 8.71370748 0.20382651 1.75176149 0.96012015 H 3.48985476 15.62394730 8.68113035 0.28748971 -0.73991801 -0.56674993 H 6.98514901 13.92292223 6.98973583 -0.01812904 0.24377806 -0.25844891 Pd 8.67798402 15.67014739 6.97998142 -1.10690174 0.57325723 -0.96226777 Pd 8.66408259 13.88298235 8.67017028 -2.13067597 2.49644370 -1.08704793 H 6.94054862 15.60664853 8.70966591 0.20740446 -0.43071325 -0.03354003 Pd 10.42936384 13.91280261 6.93912579 1.05287020 2.52717352 -4.54340624 H 12.19437314 15.62725782 6.95718962 0.24937187 -0.29966683 0.41240545 Pd 12.18123187 13.89154576 8.71072948 2.68164379 0.88550904 -0.03162519 Pd 10.41665703 15.68056885 8.73213790 1.96312694 2.77617379 -0.14992288 H 13.88806835 13.85684122 6.94298206 0.65567320 -0.07471311 -0.23897489 H 15.67940131 15.65299549 6.92981108 -0.86960222 -0.83397236 -0.13538665 Pd 15.64459289 13.91210768 8.69944578 0.55068803 0.11226115 -1.72038930 Pd 13.92951102 15.63574080 8.67421829 -0.65064326 1.03381095 -1.58874134 H 0.00760963 0.00987342 10.45548884 0.83298942 0.42262351 -0.37490849 H 1.71667367 1.73920833 10.46428188 0.58441071 -0.58542621 -0.48806868 Pd 1.71229471 0.02319449 12.16605038 -2.38416787 0.08399087 -0.94746172 H 0.01745286 1.72343901 12.18971328 0.58649581 0.11637297 0.75262024 Pd 3.45693581 0.01496052 10.43845152 0.74014859 0.43189808 -0.32873416 H 5.22248990 1.73620997 10.42982119 -0.23497459 -0.27053647 -0.56772480 H 5.24941781 0.04341293 12.15049696 -0.58679305 0.09546487 0.51601190 Pd 3.50795077 1.71544085 12.14176518 1.96733099 0.54690141 -0.73394830 H 6.96353535 0.00483375 10.42674728 -0.03201492 0.61472988 -0.63095235 Pd 8.67578564 1.70763759 10.42137687 1.26442801 -1.43485759 0.13189440 H 8.75293628 0.02901860 12.12356806 -0.08004040 0.72838111 0.09816163 H 6.93965811 1.73347993 12.18574226 0.55466811 0.12157294 0.21323202 H 10.46189106 0.00930608 10.43077062 0.47194816 0.60548702 0.27148091 H 12.18164646 1.74333601 10.43538034 0.30462963 -0.43842369 0.58151968 Pd 12.15674772 0.04060764 12.15665190 -0.25417908 -0.17861082 -0.63407369 Pd 10.43255142 1.72437137 12.18875560 -0.21460508 -0.25558277 0.13288154 H 13.94740659 0.02636157 10.45818575 0.04361019 0.66791672 0.75894814 Pd 15.65375270 1.76488410 10.44692655 -0.18963751 -0.19142509 -1.46768118 Pd 15.64156928 0.03448785 12.18825428 -0.25255888 -0.57673858 -0.66013093 Pd 13.91342457 1.76129268 12.13537325 -1.71733549 1.35016664 0.46796033 H 0.02735207 3.48781351 10.42554270 0.42147403 -0.17041411 -0.65422352 Pd 1.74899499 5.20585701 10.42046488 -3.49670846 -0.85453927 0.38454261 H 1.70785536 3.45885972 12.18414517 0.43765013 -0.16233998 0.57373530 H 0.00434560 5.21758681 12.13243024 0.44904231 -0.11443726 0.19304522 Pd 3.50649534 3.47956761 10.40903390 0.81380466 -2.75249119 -0.99114756 Pd 5.19137182 5.22460384 10.45998408 1.84989127 -1.45814835 -2.70974002 H 5.20325200 3.42469872 12.13491086 -0.32606562 0.33647772 0.08537655 Pd 3.49812706 5.24615360 12.17016728 -1.81330886 -2.92304060 1.41488460 Pd 6.96565906 3.44668486 10.41175673 -1.24382885 -0.08175382 1.24089284 Pd 8.72495203 5.18495513 10.46516301 0.73512774 -2.30070723 -1.46635124 H 8.73574559 3.51545508 12.15799227 0.30704605 -0.38044400 -0.13936995 H 6.98827398 5.20378103 12.19004774 -0.24110839 -0.04360435 -0.35658468 H 10.44918390 3.45151985 10.42076438 -0.28533225 0.13028050 0.44510971 Pd 12.14768724 5.22527303 10.43497307 -0.88973149 -0.18285749 -1.34459020 H 12.19372189 3.48853633 12.18300193 -0.24519577 -0.19793017 -0.26719036 Pd 10.39622179 5.19582803 12.17901569 0.41865074 -2.23254109 0.62065201 Pd 13.86312873 3.47941934 10.42347261 0.31865618 -0.46860730 -0.01045650 H 15.61970216 5.20483835 10.36853152 -0.55711582 0.04544610 0.04457832 H 15.64596929 3.50409867 12.19046470 -0.51656332 -1.06294104 -0.28667267 H 13.93333741 5.23660274 12.12971847 -0.08854913 0.41751120 -0.12901984 H 0.02387157 7.01370217 10.44454133 0.59604534 -0.01733084 0.30521163 H 1.73663777 8.72549789 10.40083347 -0.27697900 -0.03640892 0.76838448 Pd 1.75099799 6.94236246 12.23084468 -4.04931136 -1.29644973 -0.08486991 Pd 0.02309716 8.67928079 12.15463132 -1.41783878 -0.75317641 -0.07381366 Pd 3.50889382 6.98883652 10.41137657 -0.93692781 1.20514634 -3.66433335 Pd 5.25041493 8.68450006 10.42618128 -0.27915303 3.63536371 -0.68453251 Pd 5.22442870 6.92601573 12.19810277 3.65585017 2.00529568 2.44952075 Pd 3.44312569 8.71519144 12.16846566 1.44920288 3.29729239 0.11105943 Pd 6.97138410 6.96863939 10.43678079 -1.18764638 -1.63771142 -0.02748687 Pd 8.66341421 8.72528717 10.44253999 -0.02557585 1.13975097 -1.32960757 Pd 8.65796223 6.93220808 12.17601186 -2.34311019 -1.26072011 1.76154184 H 6.96168461 8.69397003 12.14818154 0.34472478 -0.46984150 -0.42708694 H 10.47978995 6.93822577 10.40301994 -0.34456882 -0.55480484 0.47093054 H 12.15303613 8.67349484 10.43780975 0.38342070 0.21248997 0.61114113 Pd 12.19295190 6.92067835 12.14258404 0.87006437 -1.02637122 -1.82346628 Pd 10.39710045 8.68959736 12.15900718 2.90800660 -0.49631308 -2.53853630 H 13.92720157 6.92055719 10.45344962 -0.12113146 -0.17090655 0.25757446 H 15.66849944 8.70747529 10.40970271 -0.52929388 -0.11628343 0.56365208 Pd 15.63325486 6.92381289 12.18996149 0.09242257 -1.78244150 -1.52688837 Pd 13.89140666 8.69460562 12.20255420 0.93216984 1.11731916 -3.41773491 Pd 0.01944420 10.42400550 10.42811657 0.74073198 -0.78929947 -1.98512641 H 1.76207906 12.17866337 10.43013578 -0.96151105 0.30573738 -0.00353177 Pd 1.76330943 10.45001275 12.17689854 1.45620914 1.22452566 -1.14366161 Pd 0.00323816 12.16374522 12.13477985 -1.98396999 -0.76217495 0.15822077 H 3.47544709 10.47285695 10.48204792 -0.08866646 -0.33856895 0.16628618 H 5.19162265 12.14344925 10.41667919 0.42596699 0.71767669 -0.37845879 H 5.22849845 10.38396420 12.17397420 -0.14149951 0.25349600 -0.06414093 H 3.52415628 12.17594508 12.17706121 -0.42856094 0.07879471 0.66861392 H 6.95149669 10.42411981 10.40753547 0.19687296 -0.04956869 -0.02570453 Pd 8.68423172 12.20056504 10.41382254 -0.91123613 -1.34378038 0.53355055 Pd 8.68964932 10.43718937 12.20832440 -4.17918684 -0.60885563 -0.40905339 Pd 6.93042450 12.19076366 12.16584793 -2.15787582 -0.06386069 0.53698172 Pd 10.41924760 10.43557426 10.42831975 3.57393430 -1.17989077 -2.51199225 H 12.14096493 12.19531765 10.45241084 0.04009981 0.39707684 0.25613129 H 12.13594966 10.47551409 12.21055099 0.27773936 -0.27916423 0.13868952 Pd 10.45704883 12.14254580 12.19663200 2.42578112 1.72948753 1.03418251 Pd 13.94294382 10.43544922 10.45948336 -0.84650006 -1.17785520 -2.27208567 Pd 15.67142528 12.14510028 10.40435975 1.68529699 -1.38750219 -0.99320353 H 15.65815147 10.46915171 12.18831498 -0.91787707 -0.06244575 -0.10527115 Pd 13.91855388 12.17763598 12.13959888 -0.57892372 -0.84843591 2.82090073 Pd 0.02911783 13.92432777 10.43676510 -0.66229554 0.99340612 0.68990710 H 1.76982761 15.66742947 10.48263235 -0.65656958 -0.83992547 -0.37957448 Pd 1.71735130 13.89489269 12.19931910 3.06934534 1.57564912 -2.00553902 H 0.00107084 15.67958229 12.21095517 0.77206249 -0.97908078 0.39833052 H 3.44220141 13.90953957 10.44189025 -0.14042041 -0.16166203 -0.40592359 H 5.25031835 15.65506589 10.42252711 0.47721071 -0.55736769 0.29330954 H 5.21304236 13.93849477 12.23329506 0.92437334 -0.35306809 -0.18131474 H 3.51086762 15.59467521 12.22883207 -0.75561579 -0.07184553 0.19596059 Pd 6.95235161 13.88981417 10.43002621 -2.34380698 2.15564562 1.33780913 Pd 8.68090351 15.63490130 10.42589369 -1.25966181 1.96879020 0.37083799 H 8.69487135 13.91729353 12.13891989 -0.25428005 0.25452159 -0.42000387 Pd 6.92933449 15.62877254 12.18159974 -0.60561443 -1.11354988 1.89425445 Pd 10.43313266 13.93555027 10.43208007 0.92369620 0.39101776 1.21736633 H 12.13378537 15.65091364 10.44649674 0.03075201 -0.69239008 0.11985388 Pd 12.13780534 13.88728093 12.16624642 0.63589374 0.65153203 2.66514180 Pd 10.46123223 15.65157835 12.16646935 -0.11037375 0.55975561 2.03683358 Pd 13.89922785 13.87405870 10.42285228 -1.14072722 -0.15159126 -1.14578629 Pd 15.66980961 15.67354077 10.42198810 0.56951965 0.54734635 0.08132561 Pd 15.66685005 13.92557098 12.14549222 1.17152830 0.17651318 2.53257611 Pd 13.89871039 15.62086037 12.20010706 -0.70561753 1.04233985 1.68711557 H 0.01586806 0.03658018 13.90871166 0.85430207 0.41813753 -0.48768269 Pd 1.76040637 1.73332895 13.91241436 -3.13652149 0.00412472 0.89900856 H 1.75811185 0.01621755 15.64209714 0.90953829 0.85111610 -0.83595129 H 0.02485822 1.72941447 15.63706052 0.42241523 0.60270108 -0.89277192 Pd 3.49056942 0.00943781 13.93966243 1.65421303 -0.91493376 0.71906253 H 5.21156804 1.75817644 13.89648005 -0.47643246 -0.27498639 0.16285773 H 5.25642965 0.01759824 15.61783512 -0.28368531 0.36142459 -0.96116497 Pd 3.45283100 1.75222560 15.64481193 0.89490420 -0.05337109 0.73092512 Pd 6.92270276 0.01543459 13.92792321 -0.87630194 2.28959968 -0.62213961 H 8.70984036 1.73704632 13.89598388 -0.07306961 -0.19299637 0.19643754 Pd 8.69642732 0.03025331 15.61278656 0.66944121 1.84191573 -1.42508629 H 6.92254216 1.71103428 15.62244636 0.62366910 -0.46575862 -0.78246717 H 10.41371861 0.00669652 13.91917848 -0.12553899 0.32568896 -0.25179307 H 12.17190609 1.72695740 13.93202288 0.41300602 -0.36950971 -0.61144240 H 12.16637713 0.01001679 15.65541997 0.81837956 0.48113037 -0.49011343 H 10.46211842 1.70601897 15.66855717 -0.63215020 0.03287102 -0.36232229 Pd 13.89989736 0.03589971 13.93467857 -0.81902441 -0.57283541 1.19741739 Pd 15.62936345 1.74288617 13.88487075 0.86233496 1.05552316 0.21253278 H 15.66318597 0.03289253 15.64551301 -0.97503249 0.97318540 -0.91002365 Pd 13.91887788 1.71356746 15.66083115 -1.36247636 0.36098680 -0.55805535 Pd 0.01543215 3.45687102 13.94293692 1.73192081 0.58437937 -0.24154792 H 1.77154059 5.18181865 13.91264222 0.07674250 -0.23427806 -0.42477541 H 1.74085131 3.44943197 15.64704934 0.26416235 -0.74290463 -1.00556395 H 0.00751573 5.20934768 15.67054253 0.12524335 -0.43079684 -0.57963368 Pd 3.51218332 3.47427235 13.93198879 -0.11608017 0.50427563 1.17928513 Pd 5.20205571 5.24361981 13.91749221 1.50851191 -1.32065769 0.72416625 H 5.22491866 3.50925915 15.61385973 0.12985710 0.18763629 -0.76017981 H 3.47466525 5.18192694 15.62073018 0.56939354 0.28189653 -0.59822564 Pd 6.92733005 3.49972966 13.87480316 1.10415431 -2.04313004 -0.84185708 H 8.72053862 5.22438332 13.88446460 0.24963742 0.15412229 0.32079520 H 8.63464449 3.53864239 15.61456616 -0.36641555 0.11249086 -0.59388891 Pd 6.92192175 5.22964873 15.65615273 1.04805747 -0.81426461 0.27370505 Pd 10.43344303 3.48039468 13.91671832 0.15575249 -0.26291706 2.14238856 H 12.18414842 5.23890290 13.91361079 -0.06070414 0.58264925 0.27576507 H 12.17108479 3.45380016 15.61508737 0.41399226 -0.02974463 -0.22859996 H 10.42637402 5.22053753 15.65998624 -0.01655059 0.50584750 -0.45276015 H 13.88979599 3.50708641 13.91813193 0.84574390 -0.63680706 0.87338601 H 15.67002205 5.22256140 13.93412610 -0.67921778 0.12912076 0.36236936 Pd 15.64403393 3.47591309 15.62481323 -0.61195669 0.54295331 -1.24380806 Pd 13.92746099 5.21389998 15.63625773 0.04268826 -1.03677430 -1.27261461 H 0.02678946 6.92865276 13.87701166 0.46202756 0.93288551 -0.23231436 Pd 1.72616527 8.72029211 13.92952031 -1.40783477 1.28925173 2.81151880 H 1.76137898 6.92804556 15.59699109 0.21840064 1.08041932 -0.39075333 Pd 0.02924014 8.71142440 15.67730620 1.08001064 0.38427870 -1.15506216 Pd 3.44873221 6.93897281 13.94056661 -1.24376498 -0.68718944 3.02758537 H 5.24005994 8.70866518 13.89132167 -0.80672186 -0.37620014 0.69690432 Pd 5.20532359 6.92591049 15.65559910 1.07837640 1.26669082 0.75265557 Pd 3.49362358 8.67926518 15.66280993 -0.91707289 1.15641518 0.33483527 H 6.92706469 6.96522844 13.91315605 0.02797258 -0.41916726 0.68340253 Pd 8.72459019 8.73228915 13.88717418 -4.42352594 -0.59971035 2.44789904 Pd 8.69381010 6.92514974 15.63474254 -0.36083053 -0.12437595 0.41472917 H 6.94358444 8.70998941 15.64507771 0.17273750 0.08780150 -0.06108548 Pd 10.39218289 6.98629749 13.93788801 0.58380209 -2.69272453 2.60042827 Pd 12.16965622 8.70930125 13.87705745 -0.07227785 1.89984769 2.78611993 Pd 12.20351687 7.00595983 15.64581797 -0.59269555 -0.11538122 1.27537914 H 10.45149803 8.69319552 15.64658621 -0.32002753 -0.36951726 -0.69193579 Pd 13.91264067 6.98118630 13.87923476 1.44808544 -2.83378884 1.95860669 Pd 15.65184755 8.68468668 13.92165556 1.35111992 0.43142933 1.25424385 H 15.66943997 6.94515807 15.65405446 -0.70199808 -0.07840616 -0.67924860 H 13.95939461 8.67835468 15.64063445 0.13826423 0.13006761 -0.95567726 H 0.01455927 10.49647123 13.89937887 0.67778665 0.00687542 -0.09574490 Pd 1.73594423 12.16836202 13.89855070 2.73467349 -2.08346750 1.88525516 H 1.74799814 10.43313140 15.63040060 -0.45965696 -0.40770364 -0.39152867 Pd 0.03582522 12.19391033 15.66212612 -0.06855444 -1.62528592 -0.14585694 H 3.52548965 10.40164351 13.91523066 -0.10254866 -0.11810712 0.24866968 Pd 5.19624941 12.18148077 13.93197118 -1.19907047 0.19600099 -0.64028868 Pd 5.21491347 10.43302815 15.61308576 0.82146490 -0.25744907 -0.90188224 H 3.50293915 12.13726046 15.64094836 0.58686313 0.42226232 -0.51936684 H 6.94192850 10.42218944 13.86366726 0.28178768 0.69280471 0.36438318 Pd 8.72045314 12.18754159 13.91088601 -2.44673261 3.93507821 1.66477112 Pd 8.70488803 10.44046788 15.65998317 -2.12898798 -1.05043285 1.62114415 H 6.93920378 12.12434405 15.65552198 -0.48450150 -0.20955518 -0.52134922 Pd 10.42702482 10.40602977 13.89176138 3.89458510 0.57440661 2.34016711 H 12.17804916 12.17969841 13.95143207 0.18523701 0.35304341 0.43489801 H 12.20090034 10.43235095 15.61533855 0.23617392 0.42459581 -0.49375790 Pd 10.39662468 12.13878059 15.64683820 1.72417398 1.54128226 0.63379363 Pd 13.87282168 10.42954994 13.94245373 -0.28401896 1.47373070 0.61882303 H 15.61993951 12.15769569 13.92786448 -0.82510009 -0.33338506 0.33873634 Pd 15.64080818 10.47646517 15.68026648 -0.28897883 -0.27692896 -0.54933485 Pd 13.94913119 12.14678102 15.66272003 -0.35671034 1.41744887 -0.94756271 Pd 0.03351368 13.91298840 13.92789620 -2.95569602 1.08911727 -0.56162540 Pd 1.71508052 15.66963814 13.90912051 1.00452179 0.91677573 -1.03842369 Pd 1.70537948 13.90378263 15.61721928 2.18931143 -0.31174449 1.60999389 Pd 0.01816651 15.63520994 15.64832073 0.02856993 -0.02951983 0.10949031 H 3.49799557 13.91248934 13.88054263 -0.51229347 0.01382401 0.98459791 H 5.21178478 15.60571828 13.87809308 0.08844579 -0.16734463 0.53939451 Pd 5.18051007 13.89908940 15.63435947 0.44155539 0.15693086 -1.07961636 Pd 3.49579781 15.61589477 15.67529201 0.13935789 -0.55048339 -1.22860001 H 6.94015712 13.94057733 13.91364738 -0.45104875 -0.50581115 -0.20796936 H 8.63165481 15.67450109 13.92389309 0.36949646 0.05093199 -0.35608291 H 8.69648105 13.93408809 15.60873879 0.71856294 -0.23130355 -0.13971096 H 6.91350156 15.62387533 15.63335878 -0.46947475 -0.49260203 -0.06086140 H 10.39098404 13.91261759 13.89783666 0.38417271 0.08583289 0.39009852 H 12.18053096 15.63589552 13.91863612 -0.00994940 -0.53721237 0.28334017 Pd 12.13504544 13.94106220 15.67820328 0.33795686 -0.11923615 -1.93645914 Pd 10.42655817 15.62936066 15.64825433 -0.33901554 -1.28098371 -1.99537008 H 13.93311245 13.93055322 13.91172538 -0.27140850 0.19599857 -0.02211595 H 15.65118436 15.66814207 13.95744967 -0.92966797 -0.38585011 -0.26486381 H 15.62081799 13.92463812 15.65193815 -0.97971374 -0.02696268 -0.03506814 Pd 13.95973499 15.64769238 15.66172407 0.12377510 -1.50499428 -2.08494026