108 Lattice="11.075861716852968 0.0 0.0 0.0 11.075861716852968 0.0 0.0 0.0 11.075861716852968" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.83915149450792 stress="-0.005283364494519899 -0.005461495882264864 0.0027888220949721936 -0.005461495882264864 -0.006271882443598663 -0.0009653236154545267 0.0027888220949721936 -0.0009653236154545267 -0.002113066382764586" free_energy=-214.83915149450792 pbc="F F F" Pd 0.00344839 0.02730738 0.00097964 1.00641743 0.53740179 0.57366374 H 1.87675948 1.85706831 0.02962101 -0.33066456 -0.13853979 0.60824213 H 1.85951451 0.02165505 1.85081256 -0.10314531 0.67654273 0.02686472 Pd 0.03623213 1.84338444 1.84432483 0.87284068 0.04974950 0.29540244 Ag 3.69661131 0.02478876 0.02069247 -0.54588450 -0.62203393 -0.18557607 Pd 5.54884186 1.82934398 0.02071245 1.82437311 -0.08288423 0.98670827 H 5.51838875 0.02975383 1.84632060 -0.23262881 0.58043824 0.00740041 Ag 3.69256671 1.86485891 1.83552927 -0.36697552 -2.22559970 -1.00191753 H 7.36867625 0.01293644 0.01896495 -0.38017982 0.64923648 0.38503300 H 9.25926003 1.89369562 0.02998882 -0.36281658 0.06313265 0.34830134 H 9.24118183 0.02782121 1.83622737 -0.44024012 0.63508919 0.48710454 H 7.38428520 1.83515725 1.82813074 -0.19742620 0.31957832 0.25372591 H 0.02860358 3.70849447 0.02787922 0.40462278 -0.19909518 0.75708835 H 1.89548860 5.52545571 0.02277620 -0.00309987 0.11057457 0.32971309 Ag 1.82233598 3.66972761 1.84267152 -1.50942758 0.74054168 -1.64940519 Ag 0.02069294 5.55940716 1.87898345 -1.16584002 -0.58529971 -0.63567704 Ag 3.69608577 3.71273756 0.03321011 -1.15733981 0.40395876 -2.21266760 Ag 5.51052541 5.56053770 0.00327369 1.60170069 0.88510088 -0.50065636 Pd 5.53173841 3.71311487 1.87369831 1.42338280 -0.31815218 -0.85053505 H 3.69061379 5.58878822 1.82982505 -0.07441629 -0.03363367 0.45239593 H 7.39546484 3.64964683 0.03144813 -0.45406237 0.11590630 0.64581916 Ag 9.21290355 5.54629330 0.00850669 -0.26521390 0.10709624 0.26067493 H 9.22816770 3.69431804 1.87153167 -0.77230704 0.08921841 0.45974868 Pd 7.43073746 5.52260832 1.86597056 -0.00898512 1.55752386 -0.75963119 Ag 0.02233350 7.41787033 0.04436770 0.81748253 0.63236073 0.15073893 H 1.78941318 9.22856619 0.00673770 0.12045139 -0.53973433 0.32478003 H 1.84129314 7.41870567 1.84159760 -0.04624600 -0.22318704 0.42974840 H 0.00646554 9.21217942 1.78182187 0.38448244 -0.67892035 0.33154532 Ag 3.65878649 7.36785842 0.01844964 -1.22806913 0.61482082 0.83739243 Pd 5.50352241 9.20369606 0.03613198 0.46366592 -1.16364252 1.44821039 H 5.52599053 7.41708945 1.84282708 0.32586493 0.36443482 -0.10263027 H 3.67771920 9.21893926 1.84797440 0.30787062 -0.51838226 -0.06039021 H 7.39706640 7.38716644 0.03196136 -0.22009043 0.28917224 0.77515529 Ag 9.24558359 9.21713989 0.01137615 -0.56668375 -0.77251676 0.58109901 H 9.22593353 7.35195247 1.81864338 -0.78120158 0.20580039 0.24217533 Pd 7.38945872 9.24027758 1.81912410 -0.20632666 -2.04716961 0.25250498 H 0.00766254 0.01279937 3.65655284 0.37816710 0.75296908 -0.23025619 Ag 1.87392284 1.84751235 3.69469514 -1.88587502 -2.15351913 -0.17149023 H 1.83004952 0.02689581 5.52036273 0.62791627 0.55333701 0.21040994 Ag 0.01479563 1.79196795 5.52291513 -1.78692629 -0.19332003 -1.35794014 Pd 3.68958952 0.00827758 3.67109641 -0.80386941 -1.07697521 -0.69276720 Ag 5.52131862 1.81878872 3.66871006 1.00355780 0.74703258 -0.82105622 Ag 5.51037421 0.02583312 5.51133739 -0.31475439 -2.33213781 1.99456678 Pd 3.68536578 1.80260853 5.57008027 0.18608104 0.19993934 0.79533840 Ag 7.36340987 0.00144728 3.69712075 0.50634639 -1.66720151 -2.62948525 Pd 9.16726093 1.80963895 3.67697038 -0.11115573 1.15982274 -1.16685060 Ag 9.26126816 0.01653978 5.49300633 1.31052274 -1.13638822 0.35737805 Pd 7.34801232 1.83405280 5.54454167 -0.57704848 2.76305509 1.67300152 H 0.01268778 3.67322921 3.63993627 0.47958848 -0.04574012 -0.05535868 Pd 1.84329935 5.52500401 3.66634328 -0.09192659 0.48530255 -0.49809502 Pd 1.82323437 3.68360009 5.52403100 -1.21388736 0.13654956 -0.70298054 Pd 0.01156600 5.56423402 5.52206825 -0.80417942 -0.29617902 -0.41446160 Pd 3.70119838 3.71719465 3.67105601 0.31638826 0.53956187 0.54328467 Ag 5.52777176 5.50534488 3.72792006 1.68196143 2.03378026 0.44465926 H 5.51409347 3.70690589 5.51431789 0.27738255 -0.36582730 -0.13142051 Ag 3.67125470 5.53017275 5.54681224 1.61508692 0.38664494 -0.07084475 Pd 7.41672227 3.71251560 3.68000634 0.54670182 -1.04212121 0.78223915 Ag 9.19805256 5.50508056 3.68739934 1.03848617 0.58999279 0.41489696 H 9.20421643 3.69105874 5.53532898 -0.68395131 -0.30724448 -0.28635488 H 7.38145859 5.54139083 5.54021347 0.23141531 0.29329981 0.07219763 Pd 0.03266574 7.37335434 3.62561463 0.00417024 0.87703852 -0.07469311 Ag 1.85793420 9.25937132 3.68172582 -0.29918973 1.11903700 -1.46451894 Pd 1.85239516 7.38291768 5.55081187 -0.89982814 0.80170841 -0.09412027 Pd 0.01271247 9.25461509 5.48191174 0.39821103 -0.64014765 0.28131444 Pd 3.67693062 7.34170779 3.70421150 0.33625077 0.40002247 -2.19545813 Ag 5.52152888 9.25577488 3.72773764 1.06369064 -0.18666816 -0.34814619 H 5.48987619 7.38047792 5.51419264 -0.12239747 0.23375332 0.16850506 Pd 3.66308917 9.24914990 5.53215883 0.59421002 -0.17666293 1.27418264 H 7.37572595 7.36986354 3.70067094 0.46470446 0.25859547 -0.22327825 Pd 9.25476425 9.23760579 3.69018954 -1.32161854 -1.28813825 -0.04793992 Pd 9.24463177 7.35213320 5.50851760 -1.37114518 0.34137129 -0.79310783 H 7.40648244 9.24082733 5.52361044 0.42155733 -0.81506392 -0.02178637 Ag 0.00334083 0.01654149 7.38883429 -0.79815897 -1.36151621 -0.14416041 Pd 1.84701010 1.83807214 7.41103988 0.78649447 -0.52170275 -0.25204783 Ag 1.83727060 0.01583847 9.25859590 0.94157258 -0.42316949 1.27800042 Pd 0.04362095 1.87022926 9.23183190 -0.15974490 0.53008286 -0.11063063 Pd 3.66629342 0.03160847 7.38802238 0.26289709 0.52463824 0.09050323 H 5.57685345 1.88142709 7.37650507 0.10804487 -0.63994008 -0.03701226 Pd 5.54076616 0.01693866 9.25737852 -0.59737467 1.01371839 -1.12838590 H 3.70618132 1.88076601 9.24752866 0.06641645 -0.43309172 -0.66278676 Pd 7.37032558 0.03207705 7.40642822 -1.22456736 -0.77971847 -0.42108448 Ag 9.21751403 1.87847544 7.39913300 1.78211109 0.98238682 -2.01921403 Ag 9.26487373 0.01952977 9.22172762 0.61835309 -1.07638416 0.67850055 Ag 7.40369620 1.83627302 9.19315700 -2.82912095 0.89320058 1.29510090 Pd 0.02124951 3.66473166 7.38513736 -1.08148807 0.37076261 0.14550883 Ag 1.82366333 5.56994819 7.35490094 -1.27095055 -0.26976706 0.66243258 Ag 1.88209915 3.70423432 9.22011814 -0.39300981 -0.57564514 2.73364057 Pd 0.01954163 5.55458922 9.26536971 0.12998910 -0.24926019 -0.52669214 Ag 3.66404694 3.66707519 7.35745945 2.95855844 -1.54190916 1.04501402 Ag 5.57432765 5.55224570 7.40970673 2.23658186 -1.01099865 -0.59555380 H 5.54746425 3.71465871 9.23608984 -0.11993194 0.18256086 -0.42654939 Pd 3.71762460 5.53803754 9.19425298 0.42807057 0.00939021 1.30509255 H 7.34718947 3.67842270 7.42309832 0.07514000 -0.07084637 -0.21000669 Ag 9.23098706 5.55726673 7.39182838 -0.26790990 -0.00631326 -0.64049784 Ag 9.21954902 3.69335948 9.19434290 0.18823738 1.07485646 1.29011700 H 7.37967540 5.55152553 9.24423367 -0.16350842 0.34567138 -0.63611656 Pd 0.02678018 7.39653151 7.39944031 -1.01997423 0.53685974 -0.22323651 Pd 1.82246519 9.23471468 7.39064308 -0.68047536 0.55048814 -0.38094592 Ag 1.85486399 7.41096318 9.20483250 -1.29201701 0.25807654 2.42417813 H 0.03294727 9.24515558 9.23306199 0.60464690 -0.56762097 -0.73929231 Pd 3.66086114 7.40694786 7.36960423 1.75170690 1.26185410 -0.91324778 H 5.50617078 9.21634316 7.44556468 0.00421544 -0.89942938 0.03723677 Pd 5.53043592 7.40993107 9.26571845 0.29794951 -0.24816237 -0.15937719 Ag 3.70262645 9.23378920 9.26599840 0.83910537 1.39191573 0.37061560 Pd 7.38443978 7.44595787 7.39653628 -1.05055210 -0.13418298 -1.12339933 Ag 9.21640895 9.24569997 7.38948377 0.61923149 0.18915523 -0.62403334 H 9.25325674 7.41436625 9.22811761 -0.66071588 -0.03123873 -0.71231504 Ag 7.36506644 9.25063509 9.25366285 -0.41835052 0.29691277 0.51893106