108 Lattice="11.068622009879961 0.0 0.0 0.0 11.068622009879961 0.0 0.0 0.0 11.068622009879961" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-208.76753440426026 pbc="F F F" Pd -0.00566755 0.01841851 0.02412171 46 1.55691830 0.66381227 0.63228942 H 1.82156004 1.90335319 -0.01768819 1 -0.43574997 -0.12844349 0.65431956 H 1.85133178 -0.00022300 1.87618218 1 -0.41194983 0.36421244 -0.45674885 Ag -0.01865346 1.86565733 1.83631536 47 -0.71128326 -0.07628837 -0.07349507 Pd 3.66044720 0.02369705 -0.00166546 46 -1.89702448 0.53796128 0.49973819 Ag 5.55638493 1.86613538 -0.01091576 47 0.45623691 -1.79210176 -2.96107950 Ag 5.52246380 0.01389902 1.84614751 47 1.17046228 -1.96797990 0.35108091 Ag 3.67260101 1.82625149 1.85132378 47 -1.39750666 -1.12500387 -0.24607806 H 7.40101977 0.03335110 -0.01270866 1 0.03820507 0.57164956 0.68514862 Ag 9.18752179 1.81115418 0.01485259 47 0.95613733 -0.48255959 -1.34587440 Ag 9.21972969 -0.03027814 1.88658588 47 0.45851585 -1.17549975 -0.03584265 Pd 7.38945863 1.86384735 1.83537568 46 -0.28282356 -1.02115229 1.54362937 Pd -0.02416702 3.71656471 -0.00126709 46 1.83583309 0.77654452 0.80803137 H 1.87774991 5.49114649 0.01474420 1 -0.35647907 -0.17653969 0.80980665 Pd 1.84004701 3.67150517 1.87973165 46 -1.85378482 1.95903381 -0.31664279 H -0.02912845 5.58462199 1.81203438 1 0.61132352 -0.14312403 -0.45156691 Ag 3.70896446 3.67261035 0.03141158 47 -2.22229174 0.59507990 -3.09167563 Pd 5.51900423 5.55573930 0.02570073 46 1.88004994 1.70099934 0.79393911 Ag 5.52765614 3.65534020 1.87211855 47 1.45538230 0.46015302 0.72352310 Pd 3.65567852 5.55220851 1.82822556 46 -1.12086138 0.98886057 0.17924674 Ag 7.34507463 3.67916359 -0.01219223 47 0.83584437 1.88589365 -1.83659313 Pd 9.23081295 5.54360816 0.02518780 46 -1.53233920 0.35881185 0.90759361 Pd 9.19288429 3.67838674 1.84203738 46 0.32327486 0.81006169 0.36883341 H 7.36678848 5.52355580 1.82826105 1 0.65474865 -0.16490100 -0.61286785 Ag 0.01979298 7.39605255 0.02822287 47 -0.75225787 -1.93185559 -0.36047759 Ag 1.87937902 9.19624034 0.02926598 47 -0.41969854 2.09132837 -1.60271021 Pd 1.86326997 7.40136883 1.86539851 46 -0.88703812 -1.83348465 1.21993216 Pd -0.01648871 9.18726465 1.86068556 46 0.75745600 0.33990443 1.11051344 Ag 3.72599311 7.40147314 0.01772771 47 0.35653993 -1.25233217 -1.91295114 Pd 5.51842868 9.22336752 0.00208623 46 1.95416176 -1.39545937 1.37627038 H 5.59602545 7.41190016 1.84977370 1 -0.25647130 0.07075469 -0.71379486 Ag 3.70430996 9.21420701 1.86297440 47 1.18859251 1.89240692 1.89835919 H 7.40141745 7.42671192 0.01885596 1 0.15263772 0.07960737 0.44698404 Pd 9.24851607 9.19721494 0.01572214 46 -1.48529007 -0.52031636 0.33879932 Ag 9.25737664 7.39590312 1.82342866 47 -1.00166944 -0.38511633 -0.44292212 H 7.36250057 9.24087936 1.85306183 1 0.13816202 -0.52953920 -0.57020317 Pd -0.01376618 0.06116696 3.71554909 46 0.43603557 -0.45561806 -0.28609292 Ag 1.82790616 1.78489347 3.72516957 47 -1.39464002 0.77604422 -1.05314946 Pd 1.82186812 0.00298032 5.49754860 46 -0.35705119 -1.33774156 1.65123174 Pd 0.03287771 1.81737514 5.54533961 46 -1.03983558 0.12406087 -0.11150021 Ag 3.66081786 0.03034743 3.72628414 47 0.77576940 -2.71397839 -0.41178204 H 5.55783107 1.87292754 3.72121339 1 0.59832345 -0.79485362 0.30266634 Pd 5.53322676 0.00859954 5.55819359 46 1.57792379 2.11121919 0.74412123 Pd 3.69980131 1.86999402 5.49823304 46 1.10025317 -0.90000673 1.62842525 Pd 7.35889614 -0.03386096 3.70236341 46 -0.66397103 1.45146304 1.37179309 Pd 9.21867575 1.86160208 3.66535133 46 -0.39878397 0.26871968 1.14678338 Pd 9.26056821 0.00754605 5.54370513 46 -1.83832599 1.81879047 0.61608963 H 7.36143089 1.85894165 5.52823162 1 0.71452754 -0.63030274 -0.62568152 H 0.02537458 3.71019889 3.72764641 1 0.58369035 -0.38976115 0.04570143 H 1.88340976 5.50983118 3.65337777 1 0.12665668 0.34606007 -0.28126858 Pd 1.85722857 3.72246153 5.47732229 46 -1.85724818 1.37568276 0.10345077 H -0.02054466 5.58652160 5.48717299 1 0.69905513 0.20582635 0.14297928 Ag 3.71675187 3.70147611 3.69819625 47 -1.25467687 -0.44993584 -0.39532685 Ag 5.55208541 5.52417191 3.68996188 47 1.53416794 2.52018338 -2.43754051 Ag 5.53499666 3.68805847 5.51557478 47 1.94320766 -2.63451874 2.48092981 Ag 3.69216331 5.55008756 5.55335648 47 -1.55288455 0.85874320 2.08381064 Pd 7.37194347 3.67458501 3.68902505 46 0.46916650 -1.83377765 -0.36030750 Ag 9.24033853 5.54682079 3.68671753 47 1.06268126 0.07017138 -1.34321247 Pd 9.25867594 3.72570312 5.51307808 46 -0.57496617 -1.97776817 1.29674851 Ag 7.37340408 5.50417846 5.52850631 47 0.06649592 0.99232194 2.38757475 Ag 0.02243173 7.40113231 3.71935438 47 -0.86936142 -1.73473682 -0.82175020 H 1.90081532 9.20782385 3.67769965 1 -0.29425973 -0.93192493 -0.20765968 Pd 1.79194589 7.35955767 5.50122817 46 -0.07862709 -1.81201288 1.06339048 Ag 0.00722971 9.20937097 5.56693392 47 -0.81965320 0.89069889 -0.04603191 Pd 3.65338920 7.37202023 3.70618485 46 -0.67210764 0.48146235 -1.43876312 H 5.48847657 9.25229495 3.65449506 1 -0.11892233 -0.56419979 -0.00717669 Ag 5.49976667 7.39412790 5.55698468 47 2.35280582 1.33674314 1.64507371 Ag 3.71471759 9.22517129 5.55108025 47 0.05965070 1.71635634 -0.07161188 H 7.37623135 7.34678711 3.71093991 1 0.37212466 0.23729633 -0.12175873 Ag 9.22313960 9.18943951 3.70196133 47 -1.03455920 0.98354796 -0.27052554 Ag 9.25657271 7.37330193 5.52075574 47 0.18328808 0.29651397 0.79313874 H 7.43140969 9.22952630 5.52515008 1 0.27005954 -0.52141943 0.09974074 Pd 0.01674309 -0.03409562 7.36637352 46 0.71842895 0.68161982 -0.11612060 Pd 1.82820834 1.84021749 7.37617856 46 0.54583080 -0.33078551 0.89362471 Pd 1.78517511 -0.02393528 9.20617103 46 0.25226959 0.81588478 -0.86938024 Pd -0.02262438 1.81258914 9.24761202 46 1.34811268 0.16542566 -0.56317562 Pd 3.69291988 -0.02802669 7.37017370 46 0.45811286 0.84605514 0.35782783 H 5.55464114 1.84706744 7.38466665 1 -0.84243644 -0.49974544 -0.04318315 H 5.55211846 -0.01208739 9.25783191 1 -0.66825648 0.74310114 -0.73768290 Pd 3.71981771 1.86324326 9.21850197 46 -0.45588796 -0.66075538 -0.92890738 H 7.40215598 0.03294676 7.37397673 1 -0.06971912 0.39295922 -0.91514642 H 9.19002710 1.81607299 7.41025017 1 -0.41739151 -0.00741698 -0.90505444 H 9.23163230 -0.01289229 9.24758889 1 -0.28593796 0.27216880 -0.39030551 H 7.40582203 1.82082257 9.22757861 1 -0.22185960 0.18650121 -0.50017086 Ag 0.02212206 3.67139339 7.37959089 47 -0.49912621 0.99651241 0.16827714 H 1.83392854 5.56823852 7.34450866 1 -0.02744425 0.31647871 0.39571980 H 1.84662345 3.72143861 9.24664116 1 0.01623386 -0.61673961 -0.66442046 Ag 0.00550979 5.56421560 9.21953399 47 0.57255031 -0.08961597 -0.40891930 Pd 3.71773305 3.69459335 7.40563835 46 -1.06686810 -0.44429318 0.42410543 H 5.52425273 5.58526675 7.35873661 1 0.00481395 -0.23435572 0.37463439 Ag 5.55997459 3.65464095 9.20891829 47 1.08108140 -0.84443689 -0.18086549 Ag 3.63036530 5.56212454 9.18529788 47 -0.08071554 0.63980913 -0.21503815 H 7.34596473 3.66788384 7.39812280 1 0.57055091 0.40671376 -0.09445654 Pd 9.23391636 5.53309470 7.37669948 46 -0.65474506 -0.56325373 0.70330097 H 9.23236651 3.70624428 9.22117433 1 -0.53740310 0.54271434 -0.78438225 Ag 7.38283452 5.50848540 9.22908922 47 -0.23062761 0.49670617 -0.51108238 H 0.00762047 7.39852871 7.39624921 1 1.09604361 -0.07100676 0.22633510 Ag 1.84331844 9.23164272 7.39248008 47 0.24799622 0.30313554 1.65106940 Pd 1.78561995 7.38974331 9.21120639 46 0.21882755 0.48194807 -1.91430066 H -0.02263464 9.24615515 9.19383337 1 0.77622972 -0.75375199 -0.39731562 H 3.65613211 7.41977344 7.35169768 1 -0.58468791 0.03909925 0.27488073 H 5.52750598 9.24269489 7.33013263 1 0.17624979 -0.47794532 0.17292898 H 5.56727825 7.36225275 9.21427422 1 0.25730969 -0.04053482 -0.41501548 H 3.65863855 9.19703260 9.19236678 1 -0.41935884 -0.76767146 -0.45866537 H 7.36575999 7.35096721 7.39663258 1 0.98822170 -0.07747799 0.59287031 Ag 9.21297866 9.21328974 7.36976606 47 -0.20749856 0.30596236 -0.44334898 Pd 9.22500957 7.37967499 9.24373602 46 -0.54691319 -0.55649860 -1.00115072 Ag 7.37244856 9.22188675 9.22706678 47 -1.37395826 -0.82123743 -0.40651061