108 Lattice="11.003161481009293 0.0 0.0 0.0 11.003161481009293 0.0 0.0 0.0 11.003161481009293" Properties=species:S:1:pos:R:3:forces:R:3 energy=-231.83262082621138 stress="3.1260821465132764 -6.576316048922978 2.656423980851507 -6.576316048922978 -0.9137086516577426 -4.564601561215859 2.656423980851507 -4.564601561215859 -3.057879968343749" pbc="F F F" Ag -0.01634551 -0.00259599 -0.00413407 -0.50317110 -0.04242850 -0.43663784 Pd 1.82598720 1.83481436 -0.01411731 0.28281832 0.06064202 -0.97197805 Ag 1.86468191 -0.01829106 1.77305928 0.76742346 -1.95165191 0.06509134 Pd 0.00242491 1.83938323 1.77943322 -0.82066944 1.00422472 0.25708044 H 3.67348557 -0.00712741 -0.01537408 -0.05970835 0.64599327 0.65549001 Ag 5.51733313 1.84773666 -0.02564664 -0.39270749 -1.96692196 -1.58192466 Pd 5.47482515 -0.00607885 1.83906203 -0.44683827 -0.58985033 -0.46906650 Ag 3.64049806 1.78231750 1.84427058 0.52901822 -0.04364078 -0.09229287 H 7.30627243 -0.01283592 -0.00595633 -0.16612867 0.64623362 0.89397513 H 9.14379926 1.88843140 0.01294629 -0.65217394 0.16899725 0.87653888 Pd 9.18195461 0.01199275 1.83009299 -0.89698248 0.82456540 -0.26797455 Pd 7.36333432 1.84338850 1.85390682 0.85195175 -1.37073728 -1.15277691 H -0.02337721 3.72653051 -0.03482765 0.67147214 -0.22681193 0.80665163 H 1.83957358 5.53018972 -0.01095817 0.16230644 -0.14945954 0.76307315 Pd 1.85680878 3.68816030 1.78926310 -0.93361563 -0.07461963 -0.28393239 Ag 0.01604174 5.52702966 1.84071543 -1.00031164 -1.39469300 -1.24904078 Pd 3.69500657 3.65209533 -0.01955850 0.01704780 0.68153201 -0.76721928 H 5.50760532 5.45122279 0.02213637 -0.13446679 -0.18316785 0.58681351 Pd 5.47956821 3.67679685 1.85927315 -1.15030783 0.22129012 -0.11272641 Pd 3.61421316 5.47010326 1.84302694 0.24770580 2.29021613 -0.99254274 Ag 7.30533871 3.68398696 0.02673086 0.43947710 -0.41708318 -2.54922641 Ag 9.17174831 5.49332865 0.01940596 1.92705816 0.10341689 -1.27814939 Pd 9.15776718 3.65254135 1.85661124 1.87958240 -0.88613958 -0.68412049 Ag 7.32029161 5.46707237 1.86927256 -0.56947502 1.60853366 -1.58638792 Ag 0.02753290 7.31527659 0.01901954 1.01713808 0.88210032 -0.14262688 Pd 1.83999302 9.13380164 -0.03042485 0.17284350 -1.41132607 1.32831799 H 1.81528633 7.33537736 1.83533795 0.38759373 0.35760891 -0.10396076 H -0.02389696 9.14873819 1.85472894 0.70538015 -0.63897825 0.00558076 H 3.68371565 7.34210245 0.01245074 -0.23190216 0.45360334 0.76302643 Ag 5.50676994 9.19038866 -0.00219909 -0.77744932 -0.05382438 0.80308929 H 5.51009455 7.32836848 1.81603302 -0.33315750 0.15816125 0.08272498 Pd 3.62523605 9.17300583 1.86575959 0.28061338 -1.76356508 0.46564742 Ag 7.30671541 7.32182092 -0.03160895 -0.68306405 0.57713059 -0.34877764 Pd 9.17518700 9.18420836 -0.00096994 -1.02341021 -0.56505245 0.68006121 Pd 9.19142545 7.36194405 1.81869352 0.76594937 0.54731011 -0.24457683 H 7.36591570 9.18996966 1.83887292 0.30259189 -0.67144244 -0.26127438 Ag -0.02276775 -0.02483349 3.64218795 -1.29532140 -0.89271307 -0.66029003 Pd 1.84163019 1.86301276 3.66446572 0.41927485 1.70387126 0.37708786 Ag 1.83829836 -0.00606142 5.50129322 0.01445117 -2.50765867 -0.49263697 Ag -0.02698224 1.82621978 5.52228132 -1.61755361 1.69667217 0.61012650 H 3.66774082 0.00732496 3.67688657 0.16625434 0.61029300 0.15543885 Pd 5.49989878 1.84061843 3.63258425 -1.08439023 0.56279027 0.88790694 Pd 5.54473748 0.02526020 5.47185094 -0.02288810 -0.35676521 0.77288600 Pd 3.67967428 1.81030129 5.47740888 1.10138440 1.69449720 -1.04037778 Pd 7.30090110 0.00864498 3.66033470 0.47102392 -1.10861289 -0.24745944 Pd 9.16724521 1.86784999 3.68981743 1.21022103 -0.44184703 -0.15409668 Ag 9.16984411 0.00738240 5.51732023 0.30645485 -0.43921619 0.66584122 Ag 7.32542105 1.85394967 5.53001995 -0.60142821 -0.55296675 1.12406910 H 0.02501555 3.63850234 3.70065975 0.53752186 -0.17906358 -0.24852731 Ag 1.81617478 5.48194353 3.64528003 2.41688317 -0.09491554 1.81502117 H 1.84745091 3.69218592 5.46578511 0.14249133 -0.28081094 0.25386995 Ag -0.02568906 5.51848409 5.51332225 0.11493655 -1.38446008 1.60299768 H 3.63764103 3.65741083 3.70094211 -0.15351818 -0.15946114 -0.29697568 Ag 5.51681745 5.50505001 3.64351036 -3.43821402 1.09258236 2.29172617 H 5.48293202 3.68091580 5.48507078 -0.06686100 -0.11100571 0.15045998 H 3.68648060 5.50723088 5.52703877 -0.14111991 -0.00429835 0.11908664 Pd 7.37135909 3.70101367 3.63642548 -0.53219460 -0.98635276 1.44382615 Pd 9.14685667 5.50026868 3.62589639 2.30689459 -0.13824440 0.35410876 Pd 9.19500485 3.64807010 5.52012057 0.95055695 -0.46251080 0.69386031 Pd 7.34812397 5.50132080 5.52945355 -1.98299045 -0.36263435 0.88171484 Ag -0.03009000 7.33986250 3.68933091 -1.05864416 0.82282119 -1.22827443 Ag 1.79746338 9.17180245 3.70191774 2.09982163 0.26356405 -1.27624529 H 1.83259839 7.32468766 5.46434666 0.04236679 0.29715408 0.36986916 Ag 0.01406406 9.15401330 5.49299049 -0.68381936 0.76349310 1.78463756 H 3.60975417 7.33508352 3.70338924 -0.01298629 0.25486549 -0.23290843 H 5.52324518 9.19176055 3.63380135 -0.34115220 -0.58654356 -0.14512182 H 5.51951592 7.34412502 5.47014651 0.12210328 0.17951929 0.33002251 Pd 3.64334245 9.19617406 5.53693510 0.04627249 -1.79778037 -0.26762831 Ag 7.37068514 7.34114792 3.64940588 -2.83489207 2.57522334 -0.10019579 Ag 9.13567157 9.20303132 3.63689672 0.22344573 1.53606871 -0.10925287 Ag 9.15376528 7.32660906 5.48806683 1.75422280 0.96438679 1.76128573 H 7.31119275 9.17140424 5.48387003 -0.10193064 -0.61159851 0.30042920 H -0.01767883 -0.00737091 7.35906087 0.64556747 0.61543816 -0.13025283 Ag 1.86489156 1.83722082 7.34518208 -1.21460874 1.26214450 -1.31901205 Ag 1.79672259 0.01115382 9.19432213 -0.12375705 -1.61932998 0.81937916 Ag 0.00645708 1.86319722 9.16268253 -2.21658970 0.08208805 0.22766082 Ag 3.67680445 0.02447599 7.32001084 2.54027214 -1.90834369 0.70324333 H 5.51755244 1.81287253 7.31540009 -0.49734973 0.04469030 -0.05683035 H 5.50792753 0.02608913 9.13662675 -0.21481888 0.72046683 -0.38301063 Pd 3.68129480 1.81362505 9.17597660 1.40789226 -0.58939204 0.91113186 H 7.30239539 0.00733542 7.34738185 0.08422056 0.48644488 -0.14274100 H 9.16984746 1.83352540 7.34747557 -0.49239073 -0.00447550 -0.03440310 Pd 9.18547778 -0.02609995 9.19397900 -0.68344666 0.73018125 -1.05458822 Ag 7.34327564 1.85653596 9.13303418 1.01882797 -2.27084916 0.40298157 H -0.03337311 3.62760278 7.38421141 0.42158053 0.21378192 0.10662923 H 1.86272916 5.50049681 7.30283576 -0.31762684 -0.03370777 0.25817695 Ag 1.83885997 3.63434858 9.13762825 0.01971606 3.03228897 1.11125947 Pd 0.01378887 5.51279583 9.14101976 1.11270956 -0.34422773 -1.05331822 Pd 3.66733834 3.66805769 7.29931784 0.85332410 1.97474205 -1.32395857 H 5.47273021 5.45690506 7.32998202 0.19202912 0.07541810 0.01131699 Ag 5.53595124 3.64163960 9.20474202 -1.16772339 1.77823083 0.80579925 H 3.65512436 5.48123397 9.18687642 -0.00829721 -0.06502246 -0.44785684 Ag 7.30373588 3.64162970 7.37099594 0.65798010 1.55249407 -0.40361250 Pd 9.17168614 5.53623660 7.36671233 -0.11667491 -0.18218705 1.29224539 H 9.19197305 3.69899009 9.13994576 -0.70732957 0.06208625 -0.67265515 H 7.37618957 5.55861998 9.18761155 -0.14339394 0.05755593 -0.82136540 Pd -0.00712498 7.34388120 7.36372888 0.43311848 -0.40527562 -0.44246700 Pd 1.80717949 9.19170117 7.36425344 0.71408792 -0.43490999 -0.37952361 Ag 1.86621316 7.32639947 9.17423326 0.49511929 -0.33519315 -0.30605944 Pd -0.01911245 9.15618776 9.15658844 0.73846813 -0.68007149 -0.29933979 H 3.65476468 7.33904861 7.29554602 -0.00362480 0.81234380 0.09326757 Pd 5.47833747 9.20564069 7.35894945 -0.15008615 -0.55023261 -0.88612581 Ag 5.51771062 7.34438231 9.20341618 -1.39802411 -1.31220910 -0.26531873 Pd 3.70578486 9.19171558 9.17987026 -0.25191455 -0.85309197 -0.70071818 Pd 7.30728868 7.34014147 7.32469810 -0.19800496 0.06718585 -0.09847807 H 9.17875392 9.16562179 7.35228251 -0.71360200 -0.63028081 -0.15511440 H 9.14022286 7.31780214 9.14025978 -0.71190176 -0.14449183 -0.84196803 Ag 7.32281741 9.18118543 9.19797145 0.88714286 0.40720233 -0.22660360