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=-14.633774115223282 stress="-0.0004774336907858346 8.595918693203406e-05 -0.0002192447473608329 8.595918693203406e-05 -0.00031232886473075413 -5.4338446290891166e-05 -0.0002192447473608329 -5.4338446290891166e-05 -0.00034161214568207505" pbc="F F F" Ag 35.38906298 35.23034677 35.39354687 -12.20876524 -22.04154777 -17.50737365 Pd 36.00321900 36.33350791 36.26665336 10.39644575 20.05425319 18.83309773 Ag 37.19991612 37.70765342 35.11797967 -6.16969072 -2.96495689 -7.49885113 Ag 38.60845941 38.61223586 35.99196566 -10.63803566 7.71534146 -12.48099358 Ag 37.28230626 34.52859373 37.41315437 -0.80833805 -1.93537529 -1.04019350 Ag 38.59074180 35.96052460 38.77688206 -5.51856618 0.45293648 -18.02604350 Ag 35.33155308 37.53043181 38.27934530 -1.11321860 0.36669375 0.70029140 H 37.00259123 38.43089766 38.69341276 -1.12777015 1.10916858 -0.06521875 Ag 39.67331728 34.98704809 34.94479142 -1.06952117 0.14351986 -0.16021935 Pd 41.08464508 35.81615140 36.65213791 -10.89190208 11.67517088 -1.99988682 H 41.97600747 38.08996693 34.91812670 -0.26626874 -0.02214682 0.72173525 Ag 43.72687274 38.40841299 36.78007819 -0.05742125 -1.11509589 -0.20880497 Ag 42.34033109 34.66179426 37.04834424 11.26529568 -9.93342050 3.94731203 Pd 43.60178356 36.74431004 39.10739331 29.45455614 -2.68318277 -15.00693863 Pd 39.72044923 37.99305680 37.00110101 16.10627736 -9.23467708 13.72552255 Pd 41.32950610 38.38060360 38.69744612 1.69169908 2.42102395 -3.93197645 Ag 35.08020017 39.47126782 34.79939354 0.09415595 -0.87378338 0.01424005 Ag 36.15197208 41.15280853 36.42060549 -1.19458833 2.82182093 -0.37873842 H 36.95249255 43.22371790 35.09838448 -0.33262831 -0.43657260 0.15997510 H 38.55275726 43.91528571 36.50479070 0.37933752 -0.45308697 0.74892738 Ag 37.53555097 39.59731183 37.56186929 -4.35411758 -2.94397229 1.33864941 Pd 38.35904528 41.20368829 38.47719213 -0.60698225 5.44259640 2.29033450 H 34.71920047 42.78913971 38.12786079 1.44740888 0.23248530 0.57074461 Pd 36.23440772 43.88272564 38.91085912 -13.62158850 10.38742492 -11.56892913 H 39.72585220 39.38168172 35.70496543 6.10626660 3.64897805 -0.69977312 H 41.64113490 41.24040378 36.47439470 -0.35288297 1.36210194 -0.54002259 Pd 42.80998770 42.12813525 35.13490271 -0.77508197 -0.74977550 1.63283029 Pd 43.93150711 43.64228755 36.89412756 -0.84947236 0.11326138 0.29820193 H 42.80583096 39.81599524 37.49198077 -0.66784086 0.29937372 1.34010911 Ag 44.20644414 41.62680125 38.26869549 -0.77486415 -1.00125677 0.26572336 Pd 40.01293816 42.11176279 37.76712893 3.55175229 1.38721605 -0.84221861 H 41.47496063 43.64076641 38.26929105 -0.02884317 -1.17842538 0.00349634 Ag 35.42164532 35.28563032 40.45717444 -2.05731499 -1.15560727 -2.15883943 Pd 37.02032577 36.29382362 41.59340739 0.21312586 3.62184039 4.10095085 Ag 37.59074058 37.29912244 39.73851103 -3.57546492 6.94949785 3.17348931 Pd 38.84741348 38.62708585 41.42421536 -1.21368782 1.53565293 1.38512285 Pd 37.60865538 34.83156353 42.26794272 1.88658392 -2.44025404 0.98328240 H 38.39911346 37.09920387 43.93999585 0.22150634 -0.15366709 -0.78607960 H 34.73019426 36.92883848 42.86947487 0.63936249 -0.05830412 -0.39002178 H 36.63858132 38.59374669 43.93759322 -0.18922958 0.00923288 -0.24206307 Pd 39.67159956 35.46746451 39.97792599 13.49056930 -5.16537860 14.77277149 H 40.90111807 35.93301513 41.65880597 -2.05145291 -2.21552969 -5.44262387 Ag 42.24750830 36.87139527 39.76079084 -27.92924610 -1.87353558 17.93693268 Pd 44.08749218 38.59981029 40.73515377 -1.09946716 0.61023331 -0.10999321 Ag 41.98249933 35.59643789 42.77192524 6.13297348 -4.02540056 2.67010764 H 44.23145952 36.52751604 43.88866804 -0.38939401 0.05270510 -0.29455728 Ag 40.45553632 37.16668138 42.55028120 -4.00901307 6.15998716 1.84287282 H 41.29128726 39.29128396 43.37335180 -5.17424803 -3.13053561 2.51775891 Pd 35.30925560 40.33441910 39.78266274 -20.70705884 -11.05331825 -23.91960006 Ag 36.28547500 40.82814188 40.81762850 22.40252277 9.23991561 23.36032581 Ag 37.27754095 42.92578588 39.79430736 10.46561216 -11.90995411 7.28109005 Pd 38.29782300 43.75443900 41.42362179 2.49696079 1.06175515 3.71987997 H 37.80997506 39.95906893 42.51384861 -0.25389608 -2.18593616 -3.42084451 H 38.34929335 40.94331341 43.97615574 0.96810702 1.65950265 2.06064769 H 35.34078691 41.69000032 42.28402949 -0.01424519 0.77878307 0.88479737 Pd 35.75872735 43.28931830 43.73900103 0.24273989 -0.72452298 -1.09106441 Ag 39.74691218 39.66293166 39.38105657 -0.92367970 1.11735705 2.07424597 Pd 41.74598000 40.84506017 40.90458097 4.05682957 -4.82891307 -2.19625925 Pd 42.92676930 42.91205545 40.20969407 -1.53337557 -0.97024282 -2.12458993 Pd 43.66535850 43.88736488 41.65235813 0.12644342 0.29570057 1.15404305 H 42.55071577 40.09870925 42.62281741 2.05933550 1.44948090 -7.95010626 H 43.42676694 40.81547199 43.94856998 2.17563707 2.06456393 3.43956846 Ag 40.47929349 42.15944849 41.85640801 -3.75805006 3.38090173 2.35646611 H 41.24319836 43.36108085 43.52286495 0.23570750 -0.16210126 -0.22271963