64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-59.168750850112616 stress="-0.00016116727779047482 -2.2562072767074035e-05 -0.00011541182478195305 -2.2562072767074035e-05 -0.00011959001860010336 -2.381099370797521e-06 -0.00011541182478195305 -2.381099370797521e-06 -0.00014416937484302227" pbc="F F F" Ag 35.38906298 35.23034677 35.39354687 -4.77964376 -5.06140014 -3.00412150 Pd 36.44975560 36.33350791 36.26665336 0.09586343 0.94552556 8.87876545 Ag 37.15143030 37.09593087 35.11797967 2.33086571 2.55766567 -8.06115010 Ag 38.60845941 38.61223586 35.99196566 -1.09177042 3.09467544 -5.91348267 Ag 37.33079208 34.52859373 37.57834032 -2.48014608 -4.03194524 -2.00402653 Ag 38.59074180 35.84317578 38.77688206 1.37553272 0.65071504 -6.71160963 Ag 35.33155308 38.02812193 37.89900398 -2.48819676 -0.66052784 0.33560408 H 37.00259123 38.53480420 38.36709826 -0.31701355 -4.64367271 4.27654543 Ag 39.67331728 35.21464034 34.94479142 -2.98270682 -0.38580662 -0.82182507 Pd 41.41095958 35.81615140 35.95219613 -0.12007888 5.77649799 -1.40052982 H 42.45899343 37.60597800 35.67359144 -1.85903071 -2.59138743 -0.94419637 Ag 43.20265182 38.82450207 36.59781845 0.83851133 1.09071549 0.96803379 Ag 42.34033109 34.66179426 37.04834424 2.64099911 -2.81885744 3.81099567 Pd 43.60178356 36.74431004 39.10739331 6.55598645 -2.62367078 -3.90921798 Pd 39.72044923 37.99305680 37.00110101 4.96252205 -3.50909861 4.37403585 Pd 41.32950610 38.38060360 38.69744612 -2.14103523 4.13914050 -3.12445318 Ag 35.28908149 39.57520199 34.89218576 -1.74163651 -3.80654706 -1.85686850 Ag 36.35636745 41.11891985 36.05235997 0.76594489 5.16206976 1.29673175 H 37.42935838 42.60063544 35.23080573 0.45272745 0.21426394 0.08419768 H 39.38279960 43.52688792 36.73866187 0.26922109 -1.19906358 0.80391064 Ag 37.33308425 39.59731183 37.52814399 -0.63501879 3.69544586 -0.38949491 Pd 38.36004474 41.20368829 38.47805493 -2.11466433 0.45511369 -0.99011435 H 35.03517521 42.48412515 38.07572394 1.50327042 0.15412580 0.80795063 Pd 36.23440772 43.52083191 38.91085912 -5.67510682 1.73859982 -3.96958113 H 39.74491476 39.55127415 34.91219254 0.97515356 0.70840907 -0.31538964 H 41.08990637 41.21236284 36.95067115 -0.74003178 0.46499439 0.26918904 Pd 42.85876767 41.92880382 34.95825747 -0.19482277 -0.11711872 1.02162684 Pd 43.54820314 43.92075509 37.22064607 -0.73687058 -0.67104920 0.50653313 H 42.90931129 40.15481007 37.88416047 -0.42821353 0.47622557 1.30000501 Ag 44.18977491 41.91071965 38.35233289 -0.44230645 -0.54649336 -0.16271625 Pd 40.01293816 42.19789754 37.67824213 3.69193157 2.53128471 -1.53616069 H 41.07448986 43.36490256 38.70605994 0.31934574 -1.09581903 0.00270794 Ag 35.42164532 35.28563032 40.45717444 -1.41349223 -0.47791856 -1.64257208 Pd 37.07271975 36.29382362 41.59340739 0.31316822 3.99723260 3.20287675 Ag 37.59074058 37.29912244 39.91461776 -2.23726084 7.15293933 0.31907902 Pd 38.84741348 38.62708585 41.94919136 -3.81022620 2.86857024 -0.96478141 Pd 37.13905729 34.83156353 42.26110187 0.73065390 -4.18555388 1.82610925 H 38.89369867 36.99471419 43.40488312 -1.18823960 0.09526632 -0.40501615 H 34.77380858 37.10323103 42.60063331 0.62554744 -0.21710578 -0.55225427 H 35.74762628 38.99733192 43.92693561 0.31066171 0.13784728 -0.43571964 Pd 39.67159956 35.46746451 39.97792599 6.08482697 -1.14203048 6.23219259 H 41.14868175 36.11079403 41.15670148 -0.64978913 -0.78165088 -0.58527968 Ag 42.24750830 37.23462275 39.76079084 -3.98518118 -1.26029765 7.37774249 Pd 44.06221905 38.38351679 40.99227446 -1.19653474 0.48297678 0.05773690 Ag 42.66397680 35.17388105 42.57076988 -0.31385212 0.89414566 -0.60587009 H 44.02688465 36.04644443 44.00677577 -0.20666391 0.16070692 -0.25717558 Ag 40.45553632 37.52822785 42.45052587 4.81717056 -1.63084110 0.38742817 H 41.30549349 39.21159598 43.74646882 -0.89629974 -0.26618340 0.08057775 Pd 35.30925560 40.33441910 39.78266274 -4.72779897 -2.84818884 -6.75235847 Ag 36.28547500 40.82814188 40.81762850 4.87646084 1.26294584 6.96552785 Ag 37.50457136 42.70037148 39.79430736 4.70031476 -0.22727080 4.24946134 Pd 38.62073576 43.90540170 41.41825252 0.71527946 -0.80997238 0.33156302 H 37.51966671 40.23537509 42.51384861 -0.93981723 -1.48795255 -2.91514024 H 38.40589419 40.79751171 44.02359896 1.76052980 0.99395841 2.05559373 H 35.36149611 42.06824124 42.52521282 0.70251794 0.66397822 0.52294956 Pd 35.92866006 43.36135730 43.63923859 0.10151728 -1.18562157 -1.47366240 Ag 39.90107568 40.31539861 39.64663066 -0.40062616 -1.86739010 1.23593985 Pd 41.74598000 40.84506017 40.63217484 3.00471648 -0.08355536 1.34685905 Pd 42.77776696 43.02769687 39.93854580 -1.89626189 0.04849287 -1.08706616 Pd 43.75939257 43.81401889 41.77557330 -0.82648194 -0.49457111 0.74992533 H 42.83994291 40.09870925 42.62281741 -2.76571937 -3.28048711 -8.26627128 H 43.42676694 40.81547199 43.94856998 2.63862915 3.77492212 6.49085963 Ag 40.47929349 42.15247883 42.49470965 -1.45928723 -0.94273333 -0.65267004 H 41.97123986 43.19054522 42.93716124 1.72195626 0.56233177 -0.45847937