108 Lattice="11.029678474145072 0.0 0.0 0.0 11.029678474145072 0.0 0.0 0.0 11.029678474145072" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.59739160919162 stress="-8.85734225438766 7.167619202652119 0.3306690627369342 7.167619202652119 -3.18105977607744 1.2098100904063056 0.3306690627369342 1.2098100904063056 -9.128041138429648" pbc="F F F" Pd 0.00052121 0.01934381 -0.03640781 0.86212542 0.53934167 0.85218408 Ag 1.81394090 1.82990222 0.00860106 0.00557635 -0.49404205 -0.79172700 H 1.78792661 0.01744408 1.83098145 -0.29834788 0.73909891 -0.10351133 Pd 0.02564802 1.85069432 1.80912456 0.52342769 0.40934271 0.78152190 H 3.66956934 0.00841111 0.02138951 0.08428510 0.91218262 0.51258258 Pd 5.51321045 1.84205356 0.00862980 0.00777716 0.37103355 1.47385693 H 5.49893456 -0.00901306 1.83791386 0.16438394 0.77743791 -0.13006056 Pd 3.68090192 1.86224680 1.86098778 0.01768569 -0.55980837 -1.68116635 Pd 7.36935007 0.02247407 0.02992276 -0.08597996 1.29316411 1.74139983 Pd 9.22152887 1.87009765 0.02828203 -1.07270072 0.03077287 1.43674994 H 9.20493102 0.01980446 1.77558387 -0.83537949 0.89439986 -0.15057453 H 7.36703826 1.84627900 1.81381573 0.15868614 -0.14444035 -0.59079743 H -0.01488840 3.68167540 0.00612488 0.84223549 -0.03441928 0.81512604 Pd 1.87099125 5.48800727 0.00316212 0.27339415 0.71275116 0.31230384 Pd 1.82585804 3.68770190 1.82932951 -0.93382011 -1.31483386 -0.11973291 Ag 0.02166971 5.50181994 1.85474860 -1.00114661 0.92553802 -0.67421792 H 3.70664477 3.69129565 -0.00595333 -0.07489434 -0.04175131 0.67110863 Pd 5.51560082 5.48806471 -0.00900445 -1.46748627 -0.69046657 -0.33731446 H 5.53073797 3.68496398 1.87039141 0.25186797 0.06458605 -0.42988431 Ag 3.62851675 5.49069145 1.85307537 0.12523569 0.40466373 -3.03455598 Pd 7.36488393 3.68321634 -0.00398448 -0.67834702 -1.29459599 0.24332614 Ag 9.17360609 5.49913999 0.02719309 1.50700217 0.50129232 -1.28475529 Ag 9.16866703 3.71201413 1.86818128 0.56668973 -2.85766112 -0.44950736 Pd 7.34943558 5.50510179 1.82147502 -0.55036142 -1.18482729 0.55274428 H 0.03291489 7.37651926 -0.01263632 0.69570716 -0.02107912 0.78074744 Ag 1.81865511 9.15987947 0.00307387 -0.57452039 -0.85606883 0.22395798 H 1.88119707 7.38878970 1.82965763 -0.33740219 0.09035465 0.15265828 Pd 0.00657749 9.17781938 1.83273256 1.23270468 -1.75116033 -0.07856776 H 3.66046161 7.35009030 -0.03267502 0.14871265 -0.13638701 0.52581493 Pd 5.48919442 9.19211191 0.01747517 -0.24998791 -0.66166844 -0.05154456 Ag 5.53847431 7.33015433 1.82745494 -1.63472535 0.43542049 -0.87134752 Ag 3.70430836 9.16865749 1.83963698 -0.42787563 1.36303935 -0.49765205 Ag 7.32532700 7.32858262 -0.02547029 0.86795745 1.10013068 -2.17777122 Pd 9.15974894 9.17312346 -0.03497986 -1.08581042 -1.12401814 0.92601847 H 9.18717669 7.34578829 1.84307488 -0.60893071 0.00976158 -0.12594447 Ag 7.32256701 9.19906990 1.80775015 1.29560410 2.08718645 0.28438947 Ag -0.00398111 -0.00467789 3.65811189 0.90704445 -0.03395445 -0.62506241 H 1.83201431 1.84973212 3.69384725 0.11255156 0.17581325 -0.31750865 H 1.85464621 -0.00883113 5.47984162 0.04223760 0.58031789 0.11177744 Ag 0.02967382 1.85555455 5.48425680 -0.75536739 -0.01574251 -1.34280337 Ag 3.70628827 0.03446745 3.64080939 -2.43634574 -2.09117632 -1.10315328 Ag 5.50947549 1.80464684 3.66752829 1.71096639 2.83982433 -2.54076379 Ag 5.51665654 0.01917763 5.49631162 -0.31805943 -2.73046107 2.98391118 Pd 3.68034829 1.84361827 5.50585516 -1.12907387 -0.83990518 0.59852572 Ag 7.32848608 0.02381695 3.70869101 0.93513463 -2.04511442 -3.47327650 Pd 9.18781497 1.81524449 3.65019991 0.08005598 0.16197286 -1.44190333 Ag 9.16532892 -0.03354739 5.54831359 1.03591462 -1.01875875 1.07797213 Ag 7.38301523 1.86690839 5.51307651 -0.59796761 0.94496097 0.68556151 H -0.01054454 3.66658060 3.61608541 0.62116339 -0.06039524 -0.19541865 Pd 1.81762937 5.51658036 3.69722177 -0.90507889 0.48210658 -0.06468608 Pd 1.88447392 3.64131066 5.53449562 -0.23681124 1.00353553 -0.81082812 Ag 0.00641492 5.53202914 5.54046264 -1.59939693 0.74944023 0.11759112 Ag 3.67794171 3.67592277 3.64699825 0.66323177 -0.28431224 1.07915854 Pd 5.56072357 5.49881264 3.70349488 -0.39118509 -1.63044544 1.28396295 H 5.56444301 3.70498278 5.56255333 0.03918629 -0.25670047 0.09542321 H 3.62626576 5.50466437 5.49668897 -0.07185744 0.06064104 -0.05445957 H 7.33495501 3.66749499 3.70825004 -0.03146757 -0.00390703 -0.29666828 Ag 9.16959231 5.49715560 3.68174423 2.43275366 0.50629213 -1.28791165 Ag 9.19700060 3.68262821 5.48120671 2.34156866 -0.62105125 0.07012040 Ag 7.36686059 5.51307426 5.51675016 -2.88210089 -1.06588131 0.97680493 H -0.03517418 7.29397757 3.64856187 0.77301809 0.12944249 -0.23284034 Pd 1.82033645 9.18604865 3.67480586 -1.07270209 -0.37578212 -0.23400763 Ag 1.85953259 7.32476883 5.52303685 -1.50415867 0.89779609 1.57315509 H -0.02655968 9.16380117 5.45690808 0.89392664 -0.53708089 -0.02238980 Ag 3.64022798 7.37360019 3.66343495 0.78414440 0.24618263 1.06637021 H 5.50257639 9.19531619 3.61924200 -0.03682991 -0.37987183 0.10266928 H 5.49886178 7.35745964 5.51472381 -0.21688244 0.06421977 -0.02818982 Pd 3.66792054 9.15895920 5.50094642 1.09737320 0.69404076 -0.44469302 Ag 7.35228189 7.36542902 3.66568586 -0.03206592 2.78253380 0.81118068 H 9.16739594 9.22060854 3.73230522 -0.54574020 -0.66347310 -0.10193991 Ag 9.17679637 7.35836836 5.51932538 2.29043091 2.49001312 0.55246103 H 7.40505878 9.21968564 5.48909226 -0.16887475 -0.65119225 0.09781285 Ag -0.02639073 -0.02016333 7.32256710 0.41491891 -0.20640925 0.53379415 Pd 1.80537553 1.83345222 7.38656387 0.88929877 -1.83414717 1.51640215 H 1.85972139 -0.01940705 9.17244940 -0.16914981 0.55289230 -0.68257706 H -0.01385978 1.84045857 9.22155910 0.73235631 0.31204909 -0.85233481 H 3.66920850 0.02594023 7.36344481 0.05141196 0.79658478 -0.39148689 Pd 5.54910908 1.86580431 7.41867706 -0.95443363 -2.07357200 -0.11911514 H 5.50996767 -0.01951109 9.20718825 0.18303015 0.74232769 -0.55228061 H 3.73304938 1.85707335 9.16823586 -0.11804548 0.47940415 -0.64620654 H 7.38893687 0.03244553 7.35753639 0.20841537 0.65195249 0.01899575 Pd 9.19667374 1.89043723 7.34634642 0.70539957 -0.26769710 0.74877482 Pd 9.22746455 -0.00133065 9.17624294 -0.95841408 0.55426209 -0.80200383 Ag 7.31965499 1.85331692 9.19043728 1.55661717 -1.77823668 1.47013009 Ag -0.01810370 3.69463119 7.36053531 -0.73626034 0.40630718 2.21317227 H 1.83690333 5.47745693 7.38843793 -0.19136223 0.04248462 0.50046072 Pd 1.82585503 3.65880167 9.21259574 0.62255819 0.42775478 -0.52932998 Pd 0.02174262 5.49246505 9.19503188 1.00805517 0.46528502 -1.60298403 Ag 3.72038226 3.67036716 7.33165067 -0.56690259 2.08981361 0.69675994 H 5.46335726 5.48319224 7.37325664 0.25972059 0.30093577 0.11965614 Ag 5.52667857 3.68916650 9.19052277 -1.49780673 1.40010823 1.95317915 H 3.62500090 5.45170295 9.17936152 -0.31553312 0.16189552 -0.37584571 Pd 7.35231653 3.68322840 7.35851927 -0.30102042 1.10047213 -0.02686356 Pd 9.20430291 5.50131060 7.34471828 1.23199211 -0.21778605 1.06773365 H 9.17100494 3.71478772 9.21335366 -0.87767476 0.06777623 -0.86542005 Pd 7.35917084 5.48114231 9.20531085 0.27691576 0.03141661 0.36175886 H -0.00524465 7.40178425 7.33666388 0.82045395 -0.00807346 0.50856228 Pd 1.81313326 9.19051486 7.35396615 -1.00294444 -0.09489665 -0.42376001 Pd 1.82337557 7.37074998 9.21315502 0.01232226 -1.15862090 -0.77631751 Pd -0.02036520 9.15567821 9.22115138 0.45421408 -0.83747516 -0.64782868 Pd 3.70448745 7.37450634 7.35282440 -0.18895054 -3.37569883 -0.70378796 Ag 5.48743151 9.17373762 7.38267888 1.33572233 2.53369118 -2.38243153 Ag 5.57042813 7.38463069 9.16605287 -0.17291434 -2.35063072 2.59839894 Ag 3.69578708 9.15936282 9.15942187 -1.90332076 1.32362427 1.77606195 Ag 7.33680590 7.36446258 7.33374286 0.85823945 0.70620585 0.20786812 H 9.19252182 9.17887063 7.34849967 -0.77501113 -0.87577363 0.30098131 Pd 9.16488838 7.40175377 9.21354172 -0.75572260 0.16099918 -1.08186097 Pd 7.31624420 9.15738443 9.18464239 0.32174643 -0.22742343 -0.50206725