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=257316.99813780078 stress="-2.876682353652736 -1.773128077884508 -1.7430179377369353 -1.773128077884508 -3.0420925775677903 0.304860283735042 -1.7430179377369353 0.304860283735042 -3.165268727821381" pbc="F F F" Pd 34.94657190 34.88655771 35.64245392 -52837.47941501 -137341.66202165 -11993.60866054 Pd 35.40285743 36.07256212 35.74603543 52832.14238074 137336.33950791 11996.70240061 Pd 37.37012879 37.27039016 34.77207809 7.48125620 3.21150924 -4.18072817 Pd 38.20441736 38.91376255 36.63126442 157.55582680 -316.25278394 -80.50911875 Pd 37.27512116 34.84647474 37.41871921 -129.84225650 -107.44098693 -153.02821362 Pd 38.44385696 35.84096856 38.80503703 -773.99341902 338.97780596 -997.36829306 Pd 35.16265518 37.80204541 37.66929789 -939.09349784 -834.75612044 -701.14911561 Pd 36.34363592 38.85281246 38.55151074 944.91859031 827.45519572 705.65490385 Pd 40.24883606 35.43650334 34.94977237 -59.98299994 -13.71333066 -66.39357276 Pd 41.66028905 35.82493843 36.59261552 -321747.60093002 372179.36581793 -860120.57823773 Pd 41.91540116 37.74460732 35.85565031 -252.12946829 -37.93054134 -391.87663573 Pd 43.04782610 38.70998039 37.13151179 3217.62030032 -3842.12317318 -1335.08697176 Pd 42.01798719 35.41100518 37.54891472 321692.99435626 -372415.88511058 860169.04446135 Pd 43.26547899 36.17805369 39.10547289 1324.06762274 -1619.67040697 -2113.51265696 Pd 39.76787443 37.41184563 37.83468127 33.73807824 14.79464486 -29.61282972 Pd 40.70674559 39.17505456 39.16354496 2508.25133396 -2915.44609835 -3596.05212379 Pd 35.24809534 39.35064092 34.79933469 2.25744545 -3.00016869 3.14170643 Pd 36.39420811 41.62256732 35.68374052 -386.68076564 251.07460920 -621.02833863 Pd 38.37912300 42.39962449 35.61289331 -27261.11069057 -62433.79178481 -14079.40110371 Pd 38.90438337 43.61525783 35.87989264 21088.58678814 67600.20342333 7875.58975049 Pd 37.33301238 40.66335908 37.04384570 178.41669825 -29.00320318 570.65491882 Pd 38.81049922 42.07002714 38.66751316 938.41779447 -667.75404870 -1872.50750926 Pd 35.29135163 42.17890745 37.39939210 -619.54957688 -816.07065901 -202.07582276 Pd 36.20978127 43.67370195 37.99008151 534.09258444 857.43110995 340.33734435 Pd 40.34562353 39.59862928 35.09212876 -7144.36540035 -27909.05345735 -12888.27427309 Pd 40.67012153 40.86727868 35.67789804 6897.79585338 27771.77630544 13002.83822789 Pd 42.32674405 41.67127781 34.82947089 245.11545032 117.12553338 -126.22020522 Pd 43.53967357 43.52260829 36.27607159 -0.35818724 0.68234327 3.29711033 Pd 42.13565787 39.97596522 37.64479594 -2893.07192255 4106.27428744 1607.62168015 Pd 44.10410856 41.67830483 39.31587096 6.53588278 -10.33991677 -7.27689003 Pd 39.84457764 42.77740287 36.81437225 6337.24954209 -5066.33929086 6151.18908740 Pd 40.89534791 43.96542705 39.06737872 -57.51698100 26.36008409 -47.40433399 Pd 35.51301125 34.72416590 39.70874466 -150.28105009 -133.56664287 -165.47648892 Pd 36.70802702 35.78527893 40.99059010 -347.67384792 -170.34613518 258.25053633 Pd 38.19203292 36.87753380 40.40885621 365.43201279 665.01379844 337.52594744 Pd 39.20499120 39.10696746 40.80103055 -52764.42960824 -71389.78656958 37462.58464789 Pd 37.79387295 35.13656162 42.77763816 -126678.64327284 -30103.12300848 -81211.83126290 Pd 38.84308631 35.38557607 43.45066359 126726.15415589 30075.13873514 81289.94207363 Pd 35.18071979 36.99440303 42.71765891 -6277.71162320 -6770.74661957 -4489.67502876 Pd 36.13587485 38.02483991 43.40102989 6279.62326264 6770.50716796 4489.19908754 Pd 39.77507877 35.00197971 39.72755912 957.31588834 -600.75761956 657.63327597 Pd 41.42786070 36.40371097 41.95087114 3620.92106897 -2726.06877201 -991.12555695 Pd 42.56602639 37.11927980 40.35331679 -1256.24189218 1640.17483059 1963.82022597 Pd 43.88395244 38.28391649 41.49742710 199.58538508 36.12369407 32.99600593 Pd 43.05247075 34.88106557 42.20519000 -1091.19208117 -1356.09262856 -1535.63923899 Pd 43.91080060 35.86717913 43.36456973 1138.86444619 1313.76669892 1538.83933831 Pd 40.11926095 37.33857411 42.34246192 -3945.91766645 2522.76179592 1034.20305808 Pd 41.43338176 38.71399511 43.09899234 -97103.70914913 -64684.82979124 42913.67584385 Pd 35.11310086 40.52719769 40.01667122 -15.23766671 -3.00343030 -8.33059189 Pd 36.77865406 41.60668004 41.39392810 -191.01983432 -52.21869073 72.83460374 Pd 38.05860449 42.57059216 40.16758451 -861.22089001 124.16549446 1094.31968995 Pd 38.25708197 43.91540574 41.45041431 72.33792294 708.76742594 608.93727556 Pd 37.66109103 40.12973377 42.60407543 -1219.02825462 -999.33948271 -1243.73196414 Pd 38.76655552 40.87849127 43.75519074 1117.19727161 421.81929287 1636.78616282 Pd 34.90413771 42.41542303 42.24492573 -76.03035308 24.32026315 26.85084829 Pd 36.33944948 44.02343174 43.55446625 7.28995696 3.69602073 2.76492435 Pd 39.92592862 40.08354143 40.28913179 -1291.82623247 22144.09231601 -79832.55991556 Pd 40.71636050 40.88381034 40.99545954 51514.83947594 52166.56195293 46023.04619521 Pd 42.45886893 43.14776893 40.41945227 -629981.13529463 -583200.66117504 -277652.90232004 Pd 43.23370324 43.86498656 40.76099202 630023.44704787 583175.39747421 277710.13190088 Pd 42.44249979 39.38696184 42.65479791 97083.46607772 64594.67876307 -42815.16126368 Pd 43.00010912 41.27883394 43.00747613 97.05171714 338.70744426 59.44889730 Pd 39.37166969 42.42400381 42.75418223 204.30329011 415.63811709 -263.52217697 Pd 41.74190165 43.58850064 43.98846151 -0.99253718 -1.62979424 -2.76068699