32 Lattice="7.471631263938578 0.0 0.0 0.0 7.471631263938578 0.0 0.0 0.0 7.471631263938578" Properties=species:S:1:pos:R:3:forces:R:3 energy=-87.23570496795932 stress="-0.009919005321540405 0.0013490827532169614 0.0029350881384843986 0.0013490827532169614 -0.011914458162934908 0.0023725160944104017 0.0029350881384843986 0.0023725160944104017 -0.01124102428520501" free_energy=-87.23570496795932 pbc="F F F" Pd 0.02279376 0.00428711 0.01264071 0.39783119 0.41462558 0.36708247 Pd 1.88697579 1.89832409 0.00089550 -0.43034789 -0.26843452 -0.82696830 Pd 1.88354278 0.00298799 1.85468042 -0.14311225 -0.71814078 0.14431327 Pd 0.00148475 1.87769387 1.86710968 -0.84066022 -0.14964984 -0.35666338 Pd 3.69995087 0.04441367 0.03650570 0.19736819 -0.26298486 -0.38541535 Pd 5.62787720 1.86504280 0.03061617 -0.08074022 0.25799683 -0.20584294 Pd 5.59832226 0.06093684 1.84209218 0.20230063 -0.29523289 0.19960926 Pd 3.75178719 1.85340787 1.83814888 -0.10640086 0.36690811 0.36871074 Pd 0.05077940 3.75385329 0.01538979 -0.29969164 -0.19703697 -0.13955178 Pd 1.84001333 5.58688323 0.04896401 0.31669407 0.20626605 -0.26067960 Pd 1.83538130 3.73867848 1.88893332 0.42486349 0.04936664 -0.16943165 Pd 0.03535233 5.59498752 1.87282933 -0.30489005 0.13737457 0.18544881 Pd 3.69910760 3.71392816 0.01612041 0.46403982 0.34986441 -0.78885227 Pd 5.58501299 5.61778067 0.00504472 -0.45393880 -0.52874556 0.44563165 Pd 5.61339764 3.72693689 1.87573048 0.65053031 0.32843667 -0.14351029 Pd 3.71735374 5.59869273 1.85212273 0.29809758 0.68506040 0.22763134 Pd 0.02410320 0.04342336 3.67481123 0.01622905 -0.22411228 0.14820301 Pd 1.86909150 1.89863738 3.72110768 0.24257922 -0.62996380 0.32867972 Pd 1.84149192 0.01643415 5.62927447 0.33012341 0.23684957 -0.44523824 Pd 0.00342219 1.83633369 5.54240403 0.05922517 0.28396511 0.13844198 Pd 3.77215984 0.03229635 3.71620279 -0.26887370 -0.71841807 0.36750517 Pd 5.61859531 1.88871528 3.73234155 0.74168058 -0.04123144 0.21539278 Pd 5.59714117 0.03210207 5.62938476 -0.39896856 0.42377180 -0.44220598 Pd 3.74962375 1.89527681 5.60820415 -0.07707308 -0.13562348 0.60836322 Pd 0.00022924 3.70372565 3.71309456 -0.94487845 0.45798130 0.41976727 Pd 1.85357700 5.61789352 3.73649176 0.18893896 0.70360343 0.18901220 Pd 1.89211789 3.77100955 5.57809801 -0.16402322 -0.12228080 0.80970626 Pd 0.01333214 5.59588310 5.62735723 0.38088764 -0.45346267 -0.50347049 Pd 3.73140572 3.72201176 3.70598223 0.42244326 0.55699672 0.40310109 Pd 5.63902748 5.60928866 3.75845657 -0.41970666 -0.29800231 -0.21111420 Pd 5.62562620 3.75790442 5.61099021 -0.27628936 -0.09961056 -0.25728390 Pd 3.77137018 5.62428757 5.62797652 -0.12423761 -0.31613635 -0.43037187