108 Lattice="11.00063247862914 0.0 0.0 0.0 11.00063247862914 0.0 0.0 0.0 11.00063247862914" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.30255866776565 stress="-0.006891251888836261 -0.001976180729922242 0.0001814453745324059 -0.001976180729922242 -0.0029945389568122476 -0.0051317934844332 0.0001814453745324059 -0.0051317934844332 -0.009309808691503142" pbc="F F F" Ag 0.05350396 0.03219646 0.00213180 -0.33678578 -0.54425416 -0.52002064 Pd 1.85703003 1.87424266 0.02827445 -0.41202844 -0.14624778 -0.98065171 Pd 1.83699407 0.02781809 1.85977055 1.47127029 -0.87901329 0.15884024 Pd 0.00006704 1.85449274 1.81944514 -0.94670717 0.76556916 -0.57363786 Pd 3.67145670 0.02142964 0.01125758 0.31800819 0.89859812 0.43216657 H 5.53821357 1.89005352 0.00611502 -0.08292864 0.05952762 0.77049626 Pd 5.47792684 0.05432123 1.86793054 -0.86954914 -0.34677372 -0.03995940 Pd 3.69221470 1.86823299 1.82331067 0.95914966 -1.24793380 0.58064069 Ag 7.34588764 0.03829901 0.00158215 -0.31334131 -0.14925551 -0.93357746 H 9.13405395 1.79562621 0.01435992 -0.62599847 -0.04780611 0.69559744 Pd 9.13251864 0.03915742 1.84354544 0.11851654 0.07573108 -0.39831245 Ag 7.40055208 1.85571121 1.86434680 -0.05646953 0.17543907 -2.76805671 H 0.00773878 3.68090998 0.01349995 0.65338950 -0.42628533 0.67081542 H 1.87343005 5.45254911 0.00986344 0.03844266 0.04147661 0.44991845 Ag 1.84523269 3.66048001 1.81237255 0.30160680 0.91155380 -0.56961096 Ag 0.01529820 5.49709943 1.83560649 -1.56559813 0.59076578 -2.83934051 Ag 3.67874544 3.70297751 0.01149591 -0.14753190 0.24003678 -2.36256537 Ag 5.53653630 5.51176186 0.02264148 -1.80906310 0.68576670 -2.24157799 Pd 5.48109505 3.67029728 1.82604049 -1.34405676 0.11283945 1.17328789 H 3.64818984 5.50692302 1.83057759 0.23859540 0.09764504 0.02731872 Pd 7.31173599 3.66127518 0.02147273 0.44731580 -1.75276247 -0.28969530 Ag 9.18747485 5.50651745 0.02327789 2.07322611 -0.74582485 -0.41997562 H 9.14895517 3.65144715 1.82273498 -0.49090315 0.18542626 0.03188512 Ag 7.36356116 5.51699996 1.82548130 0.68226937 -0.44150312 1.75958220 H 0.02966081 7.29107840 0.02103844 0.48635869 0.25974661 0.75236200 Ag 1.81912112 9.19727731 0.02514958 0.54229636 -0.79130154 0.65735420 H 1.88506828 7.31391793 1.84967312 -0.34282025 0.46286853 0.17728165 Pd 0.02585767 9.16698768 1.84439770 0.58980184 -0.97056581 0.08115985 H 3.62585351 7.33151337 0.02106284 0.22183184 -0.00168845 0.49535046 Ag 5.49008246 9.20355430 0.02030409 -1.50345912 0.68457116 -0.95672895 Pd 5.48402719 7.36471554 1.81491606 -3.25672556 -0.71395422 1.90480093 H 3.64707070 9.14874049 1.82190527 0.13200328 -0.45085055 0.41021633 Ag 7.40051025 7.30589699 0.00307148 -0.13994405 0.81065604 -2.25257271 Ag 9.14770898 9.13327057 0.04450491 1.36452442 0.53587891 -0.23207274 H 9.17191632 7.29385958 1.80620997 -0.44803734 -0.16298060 0.32646143 Ag 7.31177782 9.17408419 1.85551783 1.25509928 1.82879569 1.73410565 Ag 0.02127873 0.01904241 3.65766007 -1.46230128 -0.82000910 0.69788426 Ag 1.86166144 1.83229141 3.69223782 0.64011215 0.88822651 1.42669611 Pd 1.85105235 0.03003545 5.49603179 0.92948816 -0.32116962 0.08406985 H 0.01226133 1.86485195 5.54639244 0.78669130 -0.12025984 0.02892760 H 3.71332392 0.01982482 3.66936544 -0.11824611 0.79087345 -0.18411995 Pd 5.51928718 1.84107049 3.67423191 -2.53076605 -0.57989470 1.10011751 H 5.46496488 0.02786208 5.49131546 0.31640125 0.70110652 0.00081014 Pd 3.63908815 1.83822076 5.53066913 0.73096243 0.65755623 -0.16348639 Pd 7.34755017 0.03475404 3.63211059 -0.40612687 -1.67919478 0.93319853 Ag 9.18035881 1.84414680 3.63769571 3.59471374 -0.92774386 -0.23923397 H 9.17062983 0.03166150 5.48206988 -0.85087109 0.51756164 0.01628773 Ag 7.33980182 1.82169971 5.47260630 -0.39328181 -1.39809966 2.56251560 Pd 0.00853650 3.66783621 3.64194885 -0.42640747 -0.65420418 2.18866925 Ag 1.82977939 5.49728346 3.64216404 2.47914253 -0.11867334 0.96556292 H 1.82822437 3.65923370 5.49985490 0.22043022 -0.02330093 0.27947636 H 0.01957933 5.53148116 5.50365845 0.74080744 0.22613975 0.17206135 H 3.68017958 3.66960020 3.68326910 0.29769271 -0.24753446 0.00283860 H 5.46357012 5.56059207 3.66662530 0.05294702 0.20688611 -0.17137448 H 5.44612290 3.71763811 5.50759158 -0.21908779 -0.19737013 -0.00858031 Pd 3.64648374 5.51368671 5.51998720 1.47859470 -0.39729208 -0.62364589 Ag 7.30842385 3.65771699 3.67176045 -1.36072334 1.65108477 -0.42584312 Pd 9.13086355 5.49178125 3.68926500 1.76015607 0.10365633 -2.09411459 Ag 9.14971564 3.64784645 5.48707786 2.93959883 -0.69982291 2.09489714 Ag 7.36444702 5.49156257 5.51190083 -3.68853475 -0.57774990 -0.32461988 Ag 0.02353795 7.31757067 3.64294616 -1.72966182 0.42603117 -0.10772410 Pd 1.84566012 9.17089431 3.63783698 1.60663190 -0.58934733 -1.23083300 Pd 1.83485548 7.31487292 5.55884780 1.24445999 -0.58414810 -0.01957727 Ag 0.02252457 9.14718226 5.47534219 -1.57739499 1.58801616 0.03636493 H 3.68399227 7.33848065 3.64894144 -0.11857989 0.49216025 0.32533848 Pd 5.47128516 9.18709263 3.68097036 -1.21057748 -0.73133623 0.56249915 H 5.47433178 7.31449484 5.52284212 0.01567779 0.64667395 -0.14333184 Pd 3.63890391 9.18375715 5.46704050 0.81336936 -1.42199429 0.13287612 Pd 7.32295196 7.31147140 3.68276236 -0.95662736 0.65478397 -0.08340003 H 9.17489274 9.13443753 3.60147265 -0.75843744 -0.52041898 0.18006899 Ag 9.16011243 7.32700756 5.44540796 2.87191688 2.22041416 0.20645538 Pd 7.33759489 9.16333429 5.54301728 -0.28741112 0.10283927 0.15031225 Ag 0.01550320 0.02858376 7.32711647 -0.23230603 0.18770415 0.26833769 Pd 1.82117014 1.86011688 7.29816753 -0.35730381 1.57680812 0.16317288 H 1.85376879 0.00869663 9.13573765 0.05558150 0.64302428 -0.67411218 H 0.00690337 1.82598069 9.14725694 0.58385034 -0.02523335 -0.71423061 H 3.65402620 0.00935072 7.31455994 -0.17644575 0.87698714 -0.19656701 Ag 5.47072218 1.84250639 7.30910732 0.45034172 -0.20673013 -0.69673328 Pd 5.53568114 0.00493638 9.13890794 0.18194033 0.69733532 -0.65194061 Ag 3.66926033 1.86209436 9.17140560 -1.96115228 -0.86861959 0.75688969 Pd 7.29120133 0.00948163 7.36735617 0.31620499 0.64227480 -0.47340836 H 9.18664961 1.87039199 7.38407418 -0.63504689 0.07931590 0.24883348 Ag 9.19833913 0.00683108 9.15933983 -0.57617561 0.83593178 -0.36353883 H 7.29977146 1.88101927 9.17303011 0.02098515 -0.34575919 -0.60964026 H 0.01736577 3.64505034 7.32242878 0.86875953 -0.04647288 -0.04673934 Pd 1.83676715 5.48199606 7.28999620 -0.64249304 -1.51080484 0.13159693 H 1.81039575 3.66586522 9.15129035 0.28034628 -0.06523193 -0.79966652 H 0.00576383 5.50763493 9.16345306 0.80620763 0.57063590 -0.83357755 H 3.69691056 3.67996924 7.33373967 -0.55828217 -0.05689166 -0.38729147 Ag 5.47728581 5.50813888 7.35555128 -0.58745256 -0.45716101 -1.90731164 Ag 5.51104505 3.63440088 9.19363900 1.60710274 -0.27905863 1.37056125 Ag 3.69721288 5.52932887 9.19343535 -1.96505476 -0.21033842 1.02853138 H 7.33853145 3.65645555 7.35006261 0.15863764 0.11967588 0.40192943 Ag 9.13110906 5.47326395 7.36257063 2.74543013 -0.84473394 1.28897702 Pd 9.15782238 3.64020117 9.19281837 -1.39696249 -1.06584850 -1.23604851 Pd 7.38008500 5.49193669 9.14021851 -0.03326745 -0.33178539 1.29060823 Pd 0.00889611 7.30911811 7.39046034 -0.63137436 -1.56492883 -0.26883516 Ag 1.79873229 9.13438153 7.35953240 2.44773138 1.46592600 0.48068230 Pd 1.83221895 7.36071623 9.18273614 0.95130965 -0.42665758 -0.16770694 Ag 0.02302854 9.19011285 9.19031503 -0.90465687 0.30101420 0.80649485 H 3.64139171 7.32413458 7.28780235 -0.20239780 -0.02283988 -0.15742270 Pd 5.48992680 9.13871943 7.39798512 -1.12135958 -0.93966781 -0.40057221 Pd 5.49352797 7.29995106 9.17279731 -0.48353885 1.39412485 0.37970047 H 3.65446203 9.16080332 9.17040716 0.13570180 -0.84085762 -0.64986390 Ag 7.35522390 7.32991115 7.34375073 -0.55755174 2.71985520 0.55338944 H 9.15506025 9.16040086 7.28407857 -0.91192118 -0.68923529 0.15923143 Pd 9.18737683 7.33732108 9.15226329 -0.53713496 0.44465896 -0.48026513 Pd 7.38135078 9.18127432 9.19218000 0.23523142 -0.62475293 -0.85279281