108 Lattice="10.98799746467978 0.0 0.0 0.0 10.98799746467978 0.0 0.0 0.0 10.98799746467978" Properties=species:S:1:pos:R:3:forces:R:3 energy=-233.3238883969172 stress="-0.005737369621071169 -0.002013448401428882 0.0009642473010910367 -0.002013448401428882 -0.0020651581269967145 0.00476365278622805 0.0009642473010910367 0.00476365278622805 -0.012277088718906135" free_energy=-233.3238883969172 pbc="F F F" Ag 0.02648880 0.00410873 0.01648271 -1.07407031 -0.88172918 -1.43986772 Pd 1.85498266 1.81078199 0.02126244 1.36030135 0.23403563 -1.73390398 Ag 1.80676733 0.00366725 1.81029869 2.37818975 -2.76289502 0.43727486 Ag 0.03093871 1.85530118 1.80727843 -3.38454192 -0.33505598 0.40828603 H 3.65098830 0.02226695 0.02474208 -0.45292121 0.73089467 0.67514688 H 5.49455116 1.84049560 0.01091397 0.26788222 0.43932620 0.79446273 H 5.52857522 0.02547750 1.80905685 0.14113187 0.69093395 0.53923556 Pd 3.69230068 1.84690248 1.80572180 1.11048003 -0.87479155 -0.58690159 H 7.31253141 0.01650936 0.02381920 0.23975715 0.56922542 0.53804801 Ag 9.12511376 1.84503557 0.00901851 0.62114352 -0.35735033 -2.25410709 Ag 9.19311262 0.03295227 1.81090350 0.54187040 -1.66840130 0.35784757 Ag 7.34251530 1.83172377 1.86754583 -2.52599050 -0.30662547 -0.38861153 Ag 0.00982655 3.69645672 0.02818737 -1.68051685 0.45926873 -1.25899595 Ag 1.83151730 5.47317413 0.02260350 0.58983593 1.93725345 -0.88163831 Pd 1.84892154 3.62906864 1.80836856 1.46994048 1.04398732 0.39967273 H 0.02894753 5.49114540 1.78317372 0.44468589 -0.16237939 0.25290290 H 3.65728528 3.61422212 0.02119841 -0.32815768 -0.13843736 0.97344717 H 5.46707768 5.44749250 0.00936318 0.14752331 -0.13205835 0.83086288 Pd 5.45931321 3.64145600 1.83772467 0.26139714 1.49658361 -0.13664594 Pd 3.64521030 5.50456332 1.81067611 0.79221188 0.05659562 -0.37292996 Pd 7.33689607 3.69532535 0.02346422 -1.36971169 0.57933613 -0.27418967 Ag 9.18662024 5.49055047 0.02464053 -0.32294824 1.47842498 -0.52963635 Ag 9.17665681 3.69190176 1.80517386 0.68514589 1.24466002 2.34466593 H 7.34863657 5.49616191 1.80196239 0.18010344 -0.02531783 -0.20867582 H 0.00324239 7.30158596 0.02784720 0.58596602 0.07218614 0.41853174 Ag 1.85331588 9.12103729 0.00786020 -0.04339793 -0.82460597 -1.26437511 H 1.83879633 7.30115463 1.81838143 0.30257017 -0.21423131 0.25869663 Ag 0.05581260 9.13625898 1.81609375 -0.09985625 -0.02947134 0.32352392 H 3.69024585 7.35093249 0.02844626 0.00265363 -0.09843371 0.42098890 Ag 5.50771736 9.18887713 0.02389198 1.10442287 -0.05306219 -0.78658948 Ag 5.50220479 7.30880884 1.85312459 2.48419944 -1.81546136 -0.39681417 Ag 3.64398535 9.14772420 1.79774073 -1.13968577 0.95880893 1.06120396 H 7.31026079 7.37889026 0.02159254 0.27968064 -0.00397689 0.61595955 Ag 9.13083637 9.18762306 0.03154359 -0.85481834 -0.81521209 0.77851536 Pd 9.16578577 7.29033644 1.79518110 -1.87343503 -0.03525427 0.78217849 H 7.30366209 9.16700509 1.82857445 -0.12776159 -0.64531165 0.07774177 Pd 0.04586165 0.01965059 3.63770321 -0.50068392 -0.26970197 -0.42916080 Ag 1.81383574 1.82747786 3.63716530 2.19197421 0.24220856 1.72314369 Pd 1.80791347 0.03205341 5.45622301 1.48535061 -1.66183942 -0.10309587 Pd 0.01837401 1.82235278 5.46541796 -1.08061222 1.46144158 0.71714253 H 3.66345427 0.02403828 3.68565034 -0.05042241 0.56833180 -0.00210037 Pd 5.47943330 1.87322393 3.66194467 0.28661349 -0.17391860 -0.06410431 Ag 5.49562827 0.02488127 5.52964929 0.87165936 -2.46773329 -0.41733020 Ag 3.69846692 1.80362967 5.51531135 -1.57778848 0.34828751 -1.93125936 Pd 7.31675405 0.03290982 3.65134326 -0.38401109 -0.46450707 0.41766832 Pd 9.15613925 1.85044119 3.66783880 0.02545383 0.40752819 0.94778789 Pd 9.16446598 0.02074607 5.50116913 -1.04613626 1.28349697 0.37700594 H 7.31150170 1.87992460 5.52417560 0.15845749 -0.33492561 -0.14818160 Ag 0.02705490 3.68525455 3.68896278 -1.94711521 1.16993490 0.45592809 Pd 1.82396141 5.48927096 3.64766139 0.48264001 0.12931840 0.00620705 H 1.86080986 3.69750048 5.46948665 -0.36770294 0.21856906 0.22488741 Pd 0.00975742 5.45978616 5.52278640 0.26547390 -0.45893818 0.80354565 H 3.67125633 3.65705944 3.66251210 0.19658259 -0.14526726 -0.56438776 H 5.54418404 5.47042573 3.68963931 -0.11415755 0.02258473 -0.24982159 Pd 5.50845679 3.65151904 5.49911651 1.66176580 1.02917346 -2.25592511 Ag 3.66658065 5.49617479 5.46306240 -0.93980827 -1.21536476 -1.61900357 H 7.33066148 3.69109586 3.61299387 -0.18487774 -0.38005203 -0.11253306 H 9.15833875 5.44340650 3.61938298 -0.24607099 0.29474296 -0.20159424 Ag 9.09964617 3.68990137 5.49422049 -0.14349843 0.39652361 -0.03653505 H 7.35672755 5.49121133 5.47326559 -0.21772115 0.04698505 0.41720026 Ag 0.04586376 7.32505365 3.67432516 -0.12905383 -0.68100449 -0.46685897 H 1.84368690 9.14266586 3.69092965 0.28667060 -0.37294292 0.00278285 H 1.81394935 7.35409610 5.47693581 0.22576657 -0.08616012 0.12832804 Ag 0.01598917 9.14929331 5.50296944 0.11776693 1.08565382 -0.54672874 Pd 3.67132348 7.38480997 3.70918025 -2.09811684 -0.09103099 -0.24940482 Pd 5.52674664 9.14972824 3.59851718 1.49468401 0.59977373 -0.17542884 Ag 5.46630530 7.34959678 5.52513456 2.97898110 0.79585368 -1.44254486 Pd 3.63825140 9.16328721 5.50013625 -0.52808245 0.36002643 0.20292883 H 7.37898419 7.31725902 3.68233186 -0.02165472 0.33124674 -0.17129190 H 9.16076245 9.16354463 3.63350704 -0.57176192 -0.76755247 0.10237327 Ag 9.15715125 7.33377542 5.52270725 -0.01549712 -0.48238806 -0.52434767 Pd 7.35008273 9.14613419 5.48076887 -0.23328996 -0.10723493 -0.38903024 Ag 0.03015898 0.01922960 7.34639490 -0.81106110 -1.56391052 0.16879828 Ag 1.86133628 1.82451037 7.27173563 -0.67108040 0.52430158 0.64427807 H 1.79957398 0.00797390 9.15967393 -0.03440983 0.61735200 -0.46721054 Ag 0.02160765 1.84874166 9.17930406 -0.17059327 0.66797324 0.58348390 H 3.64721667 0.01240320 7.35943011 0.07926060 0.28266859 -0.01527565 Ag 5.46567352 1.84650639 7.31540571 2.50374049 -1.46025976 1.88334564 Pd 5.53156061 0.02327567 9.13293573 -0.15534332 1.26322601 -0.95891030 Ag 3.68411961 1.80281816 9.17360256 -0.32055203 -1.41116986 1.95941862 Pd 7.31383026 0.01295534 7.31179267 0.77785374 1.45264564 0.06144744 H 9.18873512 1.79653560 7.32770879 -0.73119206 -0.04392607 -0.35826233 H 9.15521055 0.01787327 9.15490754 -0.52158022 0.30682738 -0.50993125 H 7.29066932 1.78843721 9.16920769 -0.52564305 -0.03747816 -0.80718776 H 0.01332549 3.67376839 7.30876228 0.67752106 -0.07388297 -0.20663969 Pd 1.86148357 5.48119586 7.36086950 -1.76607421 -0.87777180 -1.10393511 Pd 1.86729311 3.69471886 9.16168237 -1.28107657 0.02965989 0.60704377 H 0.03166486 5.46364860 9.18438075 0.74086218 0.06996968 -0.53269347 Pd 3.64961357 3.66079515 7.34189136 -0.60308512 0.63326135 -0.44028465 Pd 5.48920817 5.52976747 7.33257028 1.10261429 0.19498375 0.72792795 Pd 5.53645286 3.67635469 9.16979256 0.32342424 -0.81288976 1.39952964 Pd 3.64301746 5.48571242 9.16479950 1.00578735 0.90866771 1.52627479 Pd 7.29216219 3.64555966 7.33432187 1.53391684 -0.67022614 -0.40191116 H 9.18604708 5.50133868 7.32573229 -0.69071169 0.29409182 0.31142338 Ag 9.17142343 3.71049848 9.16341809 -0.17544274 -0.22407590 -0.42474295 Pd 7.28160437 5.48649154 9.16262805 0.34527447 0.93307681 0.30538634 Ag 0.01604517 7.31737335 7.33431262 -1.64304567 -1.28079915 -0.69565022 Pd 1.84386030 9.18187194 7.33035800 0.48768780 0.73597946 -0.62332885 Ag 1.79539558 7.32746070 9.15507438 1.11424549 -0.53778493 2.61889204 Ag 0.03295165 9.15758962 9.17664918 -0.85001298 1.21526853 0.69366223 Ag 3.70359750 7.33325434 7.32939553 -0.10847462 2.03551032 1.43591001 H 5.49799233 9.15674021 7.36079836 -0.12327385 -0.55326077 -0.26151280 H 5.47443639 7.30580910 9.14794921 -0.12784220 -0.24793590 -0.67488028 Pd 3.69461390 9.16584880 9.14917652 0.55765116 -1.38111026 -0.99766937 Pd 7.30211592 7.29082748 7.33177176 -0.14985327 0.43980708 0.98158562 Pd 9.15678043 9.19010276 7.28052607 -0.62949317 -0.70325756 0.28089605 Pd 9.14369539 7.32067561 9.13014874 -0.70441199 -0.31169924 -1.07353262 H 7.35991191 9.16968011 9.12403109 0.49935692 -0.85640936 -0.83731658