32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=245.19408924337924 stress="-1066.061240562412 119.45752884520456 -46.01306089203587 119.45752884520456 -982.9426832560431 18.824045888463047 -46.01306089203587 18.824045888463047 -969.6475009052635" pbc="F F F" Pd 0.27605246 -0.23633024 -0.23320582 -8.84502111 -3.91591496 -6.20492258 Pd 1.58223187 1.60537101 -0.25376060 7.20110933 -14.45356762 -10.25151246 Pd 1.76767637 -0.28756333 1.29960156 -46.94274066 -16.16631519 17.88840205 Pd 0.11460270 1.67842378 1.64553500 -7.49195640 -36.53319358 -6.00732433 Pd 3.14594781 -0.04214718 0.24717822 14.07044401 -14.78477115 -67.65398582 Pd 4.28013645 1.77652831 -0.26987588 69.34351577 -59.10768540 -39.00499182 Pd 4.29215497 0.15055857 1.63116295 74.45628807 -42.33294352 16.84131999 Pd 3.10385572 1.34912793 1.68339766 -53.64448195 39.51047920 -1.72379504 Pd 0.00905275 2.74374036 -0.03941517 -22.14083140 14.30264027 -19.45511074 Pd 2.07237070 4.23348799 -0.16815721 -33.92014273 29.13115985 -43.86098631 Pd 1.41380054 3.23598149 1.69843311 26.72396800 -34.33214294 -19.50757568 Pd 0.20500540 4.57855587 1.13172055 -20.17879614 28.91896902 -7.39545277 Pd 3.14283106 2.81428451 0.14076596 -52.27154019 30.90031152 -4.80079980 Pd 4.68447888 4.45780188 -0.00380571 8.16943208 6.17677311 -5.92597037 Pd 4.34500492 2.76266754 1.53443794 45.31478466 14.87902086 25.72572571 Pd 2.96546017 4.37675125 1.42526659 19.55950571 32.21668312 32.51325791 Pd -0.26132117 -0.04573554 3.08968929 -28.39137059 -14.14970280 -37.41628503 Pd 1.71863911 1.27352891 3.23624620 -68.50681182 17.28667202 -37.44873487 Pd 1.01512556 -0.17613075 4.40022344 33.39914176 -36.52297924 36.30961005 Pd -0.19865200 1.25463684 4.59325006 -20.69800776 33.17064441 19.16623307 Pd 2.72744624 -0.18617391 3.00882294 20.78943322 -46.48955922 15.93924617 Pd 4.27434801 1.44800392 3.36931113 67.87639209 5.74531025 -37.35848569 Pd 4.48026295 -0.04699380 4.43918063 8.76240131 -27.60771501 21.74685036 Pd 2.91995536 1.70553210 4.30703665 -5.83996186 -43.63599175 136.81327716 Pd -0.12227646 3.11434322 2.84304570 -48.39698915 -7.67952258 18.84765108 Pd 1.24079411 4.28715336 3.20457492 -6.51154359 49.80450850 -72.29005390 Pd 1.41186948 3.19802343 4.57026468 0.00011227 -72.17569946 51.94822217 Pd 0.07529174 4.41339901 4.54781467 -55.72024303 33.01197600 36.52650800 Pd 2.94893536 2.88579204 3.26687725 -3.52921039 64.06958240 -63.98042665 Pd 4.26446711 4.32816996 3.24198235 17.93842526 30.53181544 -20.76804295 Pd 4.75627653 3.23982735 4.71628421 11.47861144 -11.83482532 25.95881365 Pd 2.48013197 4.63107567 4.27460958 57.94608379 52.06598376 44.82933944