32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=245.194089243379 stress="-0.014389121592733086 0.0016123735131898102 -0.0006210595628446605 0.0016123735131898102 -0.013267231984343526 0.0002540768530458891 -0.0006210595628446605 0.0002540768530458891 -0.01308778075943827" free_energy=245.194089243379 pbc="F F F" Pd 21.27605246 20.76366976 20.76679418 -8.84502111 -3.91591496 -6.20492258 Pd 22.58223187 22.60537101 20.74623940 7.20110933 -14.45356762 -10.25151246 Pd 22.76767637 20.71243667 22.29960156 -46.94274066 -16.16631519 17.88840205 Pd 21.11460270 22.67842378 22.64553500 -7.49195640 -36.53319358 -6.00732433 Pd 24.14594781 20.95785282 21.24717822 14.07044401 -14.78477115 -67.65398582 Pd 25.28013645 22.77652831 20.73012412 69.34351577 -59.10768540 -39.00499182 Pd 25.29215497 21.15055857 22.63116295 74.45628807 -42.33294352 16.84131999 Pd 24.10385572 22.34912793 22.68339766 -53.64448195 39.51047920 -1.72379504 Pd 21.00905275 23.74374036 20.96058483 -22.14083140 14.30264027 -19.45511074 Pd 23.07237070 25.23348799 20.83184279 -33.92014273 29.13115985 -43.86098631 Pd 22.41380054 24.23598149 22.69843311 26.72396800 -34.33214294 -19.50757568 Pd 21.20500540 25.57855587 22.13172055 -20.17879614 28.91896902 -7.39545277 Pd 24.14283106 23.81428451 21.14076596 -52.27154019 30.90031152 -4.80079980 Pd 25.68447888 25.45780188 20.99619429 8.16943208 6.17677311 -5.92597037 Pd 25.34500492 23.76266754 22.53443794 45.31478466 14.87902086 25.72572571 Pd 23.96546017 25.37675125 22.42526659 19.55950571 32.21668312 32.51325791 Pd 20.73867883 20.95426446 24.08968929 -28.39137059 -14.14970280 -37.41628503 Pd 22.71863911 22.27352891 24.23624620 -68.50681182 17.28667202 -37.44873487 Pd 22.01512556 20.82386925 25.40022344 33.39914176 -36.52297924 36.30961005 Pd 20.80134800 22.25463684 25.59325006 -20.69800776 33.17064441 19.16623307 Pd 23.72744624 20.81382609 24.00882294 20.78943322 -46.48955922 15.93924617 Pd 25.27434801 22.44800392 24.36931113 67.87639209 5.74531025 -37.35848569 Pd 25.48026295 20.95300620 25.43918063 8.76240131 -27.60771501 21.74685036 Pd 23.91995536 22.70553210 25.30703665 -5.83996186 -43.63599175 136.81327716 Pd 20.87772354 24.11434322 23.84304570 -48.39698915 -7.67952258 18.84765108 Pd 22.24079411 25.28715336 24.20457492 -6.51154359 49.80450850 -72.29005390 Pd 22.41186948 24.19802343 25.57026468 0.00011227 -72.17569946 51.94822217 Pd 21.07529174 25.41339901 25.54781467 -55.72024303 33.01197600 36.52650800 Pd 23.94893536 23.88579204 24.26687725 -3.52921039 64.06958240 -63.98042665 Pd 25.26446711 25.32816996 24.24198235 17.93842526 30.53181544 -20.76804295 Pd 25.75627653 24.23982735 25.71628421 11.47861144 -11.83482532 25.95881365 Pd 23.48013197 25.63107567 25.27460958 57.94608379 52.06598376 44.82933944