108 Lattice="10.164720682625022 0.0 0.0 0.0 10.164720682625022 0.0 0.0 0.0 10.164720682625022" Properties=species:S:1:pos:R:3:forces:R:3 energy=-204.22999106400164 stress="-0.01359548914239758 0.0027670351456414027 -0.0011735679114435868 0.0027670351456414027 -0.007255190372143583 -0.009678775098779234 -0.0011735679114435868 -0.009678775098779234 0.005848415470171703" free_energy=-204.22999106400164 pbc="F F F" Pd 0.02684488 0.00810394 0.00706656 0.53484405 0.61967397 1.26576550 Pd 1.66661036 1.69457840 0.02110140 -1.53473403 -1.69074188 -1.45130333 H 1.71548771 0.04452132 1.69229750 0.34671336 0.25333384 -1.38292349 H 0.03904594 1.69171881 1.69413738 0.22542472 0.67572399 -1.01614136 Pd 3.37972966 0.01143732 0.02033418 -1.14043566 -1.50345177 -0.77538962 Pd 5.10552558 1.74439477 0.00147747 2.34703273 -0.55444979 -1.19874784 Pd 5.08599699 0.03182422 1.68961162 2.57795179 -2.15450641 0.65959991 Pd 3.37321805 1.66922753 1.69751075 -1.41554790 -2.21949069 1.98676026 H 6.81516839 0.00699282 0.02455530 -0.32931936 0.86180731 0.29630298 Pd 8.48494585 1.67458330 0.02481306 -1.33963485 -1.29641459 1.08878891 H 8.45014041 0.03225160 1.72654970 0.12676971 0.49520111 -0.49697577 H 6.72432236 1.75265602 1.66820532 0.24311550 0.30585500 -0.55912725 Pd 0.02401754 3.40608142 0.00568170 -1.46232061 -0.09060290 0.47351999 Pd 1.69480200 5.08474688 0.01511512 -1.52527387 1.25233134 -1.40693551 Pd 1.71633206 3.38210537 1.69345316 -2.33169742 -0.29353717 0.60548973 H 0.02114401 5.11266007 1.65372870 1.01810811 -0.68293947 -0.05254689 Pd 3.40202245 3.39316478 0.00341843 0.92272970 1.05033551 -1.94666743 Pd 5.05606183 5.07607687 0.03974202 0.04215017 1.51304004 0.19942735 H 5.09663905 3.36481675 1.69380374 0.07639413 0.19252517 -0.23902860 H 3.40436705 5.07577800 1.71453181 -0.65829233 0.10029261 -0.52213933 Pd 6.74599225 3.41787682 0.01503092 0.68954458 -0.58999653 -1.08147707 H 8.44204293 5.06748866 0.02829191 -0.69366608 -0.86274067 0.73485144 Pd 8.44792052 3.37406080 1.71766068 2.46357258 -1.86050654 -0.70481111 Pd 6.78950597 5.11028551 1.70724472 0.41260274 4.34513468 -1.56184063 H 0.01241546 6.78502204 0.00400669 0.76728339 0.16258148 0.83977781 H 1.74683089 8.50243578 0.00602173 -0.09187991 -0.84911704 0.77630572 Pd 1.67921394 6.76954806 1.71310045 -0.27840416 2.12769672 0.66691687 Pd 0.00175889 8.44439903 1.72103996 1.05792397 -0.97455018 0.33368289 Pd 3.36338467 6.74481952 0.01747066 1.22021882 2.26304973 0.63370027 H 5.11535801 8.46919006 0.01026137 0.13419359 -0.35108103 0.50772289 H 5.06601217 6.75602437 1.71632938 0.49465882 0.06177875 -0.02715436 H 3.38307570 8.48536801 1.65029576 0.07544426 -0.59632882 0.21792136 H 6.75350489 6.74241109 0.02806780 -0.41425276 -0.26768601 0.65861577 H 8.47092261 8.47247030 0.00676580 -0.61472035 -0.10263877 0.63438503 H 8.47576154 6.76917609 1.72298717 -0.53866806 0.24537892 0.93067517 Pd 6.76843774 8.44041097 1.68817812 -0.10167967 -2.03824791 -1.42325506 H 0.01991543 0.01885727 3.41876916 0.37476209 0.31139001 0.86885164 H 1.69958296 1.71499397 3.38077173 -0.24801343 0.78691739 0.49193832 Pd 1.68546853 0.00308139 5.08496842 0.06305820 -0.72712682 -2.26423631 Pd 0.01896589 1.70661223 5.10408475 -2.34611437 -1.31303607 0.06843023 H 3.39724350 0.02195058 3.39040728 0.65181432 0.06091812 -0.10367554 Pd 5.09769792 1.66128787 3.41194131 0.13586288 -0.30865601 -0.74468304 Pd 5.09361321 0.01374042 5.09595301 0.16703094 -3.18042015 -1.06730604 H 3.42581478 1.66275670 5.07078140 -0.16759656 -0.36248277 0.67987267 H 6.75084461 0.01110094 3.37291005 -0.66502289 0.37976523 0.72326256 H 8.48152430 1.71418597 3.37697190 -0.37660434 0.29325015 0.31538199 Pd 8.50425813 0.01704980 5.10447968 -1.16355192 1.03900727 0.32524668 Pd 6.76708342 1.72032444 5.07935304 3.90295483 -0.76467917 0.12686931 Pd 0.01415346 3.40524136 3.41799882 -2.55449411 -0.38910680 -1.38527605 Pd 1.65609651 5.10793400 3.33167231 -0.29199618 2.57808635 0.46979844 Pd 1.71374023 3.36121532 5.11164044 -0.71309338 1.75056109 1.13621249 H 0.00488116 5.05812144 5.08050547 0.60566687 -0.28272619 -0.76380590 Pd 3.37458472 3.33703328 3.39407548 1.15420939 0.02804860 1.28009270 Pd 5.05261498 5.05659482 3.40736514 -0.94460083 3.09234165 1.16998107 H 5.09183419 3.35230687 5.12002554 0.52426809 -0.36874083 -0.21376603 H 3.36615468 5.07099721 5.11179425 -0.53422070 -0.32763423 -0.57901866 Pd 6.82673652 3.39118786 3.36449379 0.21116897 -1.66633548 1.32729532 Pd 8.48975550 5.08963356 3.41833079 0.92141069 2.80842176 2.26820644 H 8.44715056 3.36477234 5.08943994 -0.61119446 0.49965295 0.19688428 H 6.78583741 5.07132832 5.07166559 0.56220375 -0.40644539 -0.11776995 H 0.01962470 6.77321769 3.39397157 0.80420434 0.15072183 -0.53168406 H 1.65603986 8.46980939 3.35962559 0.00761536 -0.44785527 -0.21820599 Pd 1.72393207 6.79837837 5.06519692 -1.34664562 -0.95763746 0.35823242 H 0.00424184 8.50203344 5.07172916 0.82427468 -0.37211173 0.51957955 H 3.38345825 6.79978188 3.41126502 -0.30402510 0.41334282 0.48643135 Pd 5.06935099 8.44601786 3.39569064 -0.65943963 -1.65883477 -1.14489115 H 5.07047352 6.75396300 5.11469253 0.17807996 0.98181473 -0.78207882 Pd 3.36179884 8.46289342 5.05329406 1.13109792 -0.24805698 0.14710831 H 6.82372851 6.75409035 3.38474358 0.02059916 0.76361062 -0.29418346 Pd 8.45696326 8.45249518 3.36485297 -0.30206480 -1.94437060 0.18687629 H 8.50099372 6.74687026 5.08985989 -0.15558438 0.43070579 0.13431555 Pd 6.77866189 8.48027291 5.09932618 -0.54294021 -1.71117456 0.98190321 H 0.00585069 0.01282508 6.74407027 0.71149948 1.22082268 -0.50836241 Pd 1.70222727 1.66854476 6.76269043 -2.19922337 -1.77944928 0.92548402 H 1.68667869 0.02991257 8.45809441 0.30352917 1.18436916 -0.63081974 Pd 0.00929979 1.71809947 8.48924667 0.12907559 -0.74282608 -0.96830341 Pd 3.41552619 0.03334016 6.76085470 -0.42063833 -2.80656410 1.13611941 Pd 5.08564095 1.67295565 6.73891943 0.43222456 -1.17327525 -0.12326714 H 5.04714364 0.00947054 8.47699733 -0.29644833 0.98821303 -0.61078365 Pd 3.38293033 1.67471984 8.47202768 0.11728026 -2.47457767 4.03358532 H 6.78224838 0.00219439 6.77518956 0.28501458 0.69845711 -0.36373158 H 8.46955480 1.69193775 6.83032291 -0.72549748 -0.61694354 0.02062803 Pd 8.47880569 0.02871789 8.49956207 -0.66654411 0.65697549 -1.65329832 Pd 6.74757196 1.71348143 8.50009201 1.53331151 -1.52073567 0.74993198 H 0.00476433 3.35635153 6.75026381 0.63472816 -1.24923463 0.16576213 H 1.67025654 5.07610118 6.75618975 0.70908547 0.06117381 0.64545538 Pd 1.72552605 3.36908396 8.46219328 -2.79509739 2.25386278 1.41550681 H 0.00060191 5.12318470 8.44854967 0.82789406 0.11753133 0.10011173 Pd 3.39450908 3.38775708 6.76166093 1.35330970 2.91165554 -3.17194907 H 5.11798150 5.05449670 6.78650483 -0.19588183 -0.70454772 0.86387675 Pd 5.09763645 3.41939728 8.45130717 1.20721051 2.22971847 2.73438681 Pd 3.41474679 5.10290929 8.45984462 0.73449415 2.82112993 -0.21485931 Pd 6.77554384 3.38570482 6.76146921 1.89387469 2.60177779 -0.75386715 Pd 8.45728162 5.06375836 6.73992192 -0.99005873 1.52355483 -0.38088535 H 8.44838594 3.37537313 8.50106118 -0.70042005 -0.02188635 -0.74017461 H 6.80707221 5.09131343 8.48952348 -0.06639348 -0.54433987 -0.66325388 H 0.01829844 6.76181452 6.75894323 1.15070536 0.58249269 0.00636638 Pd 1.69754170 8.46620697 6.78407238 -0.76365286 -0.01100295 1.12399468 Pd 1.66354742 6.76028995 8.44832230 -0.85761335 -0.18410367 -1.22477120 H 0.03159743 8.45506485 8.46152033 1.15326114 -0.62719496 -0.60549809 H 3.42058686 6.75327561 6.75100804 -1.30128959 0.58028338 0.16786213 H 5.11535396 8.48981418 6.76838877 0.65971891 0.13379138 -0.37677798 H 5.05566691 6.77959876 8.46012494 0.30154678 -0.06377833 0.15774976 H 3.41862782 8.41022267 8.45599150 -1.03153796 -0.32956556 -0.45646395 H 6.78586252 6.77257076 6.74057524 0.92033463 0.97910354 0.18079534 Pd 8.43875908 8.47287944 6.79437550 -0.43490260 -1.90497387 -0.18207196 H 8.44051017 6.77799201 8.50333497 -0.54770845 0.63593301 -1.00926341 Pd 6.75628545 8.46598184 8.50328633 -0.68442005 -1.90368354 -1.50514953