108 Lattice="11.370552425057584 0.0 0.0 0.0 11.370552425057584 0.0 0.0 0.0 11.370552425057584" Properties=species:S:1:pos:R:3:forces:R:3 energy=-337.1737237897907 stress="-0.008046977852479691 -0.00027493391138337534 0.0005682461910649427 -0.00027493391138337534 -0.0075311917755272635 -0.0006057382629116041 0.0005682461910649427 -0.0006057382629116041 -0.007120741723767013" free_energy=-337.1737237897907 pbc="F F F" Pd 0.03484420 0.00363635 0.01059625 0.55434237 0.52403052 0.55085539 Pd 1.91501915 1.88556796 0.03463708 -0.14599557 0.16096071 -0.39526458 Pd 1.92099748 0.03522116 1.90937256 -0.06162469 -0.53591215 -0.18184784 Pd 0.00360294 1.86992375 1.89609460 -0.31805765 0.10675721 -0.19269220 Pd 3.81472272 0.03281634 0.01768944 -0.09763010 0.11535708 0.18069297 Pd 5.70114472 1.88419477 0.00612016 0.13152654 0.06793989 -0.44909176 Pd 5.71684198 0.00648294 1.87175416 -0.05436052 -0.43328889 0.27052064 Pd 3.82361146 1.90059099 1.89129721 -0.21896795 -0.20479947 0.08173724 Pd 7.60438603 0.00238279 0.03011873 0.02632475 0.49105254 0.34698920 Pd 9.47546432 1.92887698 0.02439244 -0.40891879 -0.22039309 0.43031319 Pd 9.44602750 0.00655943 1.92444204 -0.30492314 0.53502363 -0.06803943 Pd 7.55403041 1.92361673 1.91914096 0.43032836 -0.43377936 -0.33988701 Pd 0.03569041 3.82555477 0.01171829 0.27475105 -0.19298419 0.38928191 Pd 1.92070478 5.66791072 0.01965692 -0.11260736 0.24051221 -0.29357816 Pd 1.89167976 3.78158561 1.93170703 -0.07933091 -0.15573293 -0.50002333 Pd 0.01506249 5.72091299 1.91593376 -0.46546829 -0.23242703 -0.25624318 Pd 3.81511293 3.79779185 0.01859828 -0.19189256 -0.17658437 -0.48745465 Pd 5.65489831 5.70556813 0.01427437 0.29305102 -0.21522833 -0.52101835 Pd 5.67768648 3.79640314 1.93015980 0.30229939 -0.15319793 -0.62631986 Pd 3.80411957 5.66988046 1.93023839 -0.31663624 0.27873632 -0.39533700 Pd 7.60169861 3.77519399 0.02563761 -0.15614803 0.14886871 -0.53694593 Pd 9.46637934 5.71885472 0.02183333 -0.30426512 -0.08950408 0.27569722 Pd 9.44585798 3.76422165 1.91858944 0.70051929 0.20728550 -0.22663403 Pd 7.57890467 5.65901959 1.88926227 0.18869684 0.40470989 -0.09833831 Pd 0.02615997 7.60896211 0.02157789 0.39184083 -0.10396735 0.35618663 Pd 1.87592443 9.51210127 0.03377014 0.14013635 -0.50622755 0.45196493 Pd 1.87957355 7.58452474 1.89880764 0.35992775 0.17189711 -0.24751515 Pd 0.02242670 9.46429872 1.94754117 0.21153628 -0.22166015 -0.20102479 Pd 3.81293110 7.59239054 0.03755328 -0.42428328 0.15147840 -0.54099162 Pd 5.67923262 9.50445173 0.01643538 0.22703644 -0.32941940 0.26829599 Pd 5.65503499 7.57846676 1.89737177 0.53951647 0.26069517 0.03122850 Pd 3.82463158 9.50080350 1.86246647 -0.32085761 0.30042047 0.18340069 Pd 7.53517805 7.57495652 0.02090447 0.28785279 0.17194718 -0.25773675 Pd 9.44546771 9.49015239 0.00802458 -0.54891782 -0.71446648 0.56523329 Pd 9.46504313 7.55543054 1.92187026 0.29370047 0.18562552 -0.19492171 Pd 7.62303221 9.46474174 1.89195655 -0.18813252 0.26114213 0.00289494 Pd 0.04609962 0.00682408 3.78833395 -0.04035968 0.06770180 -0.10141667 Pd 1.87350780 1.87000006 3.80599489 0.26407230 0.18654342 -0.13279352 Pd 1.86604468 0.00328545 5.67252219 0.19229850 -0.44949214 0.39721197 Pd 0.01858111 1.86385319 5.70645483 -0.52632867 0.18757570 0.14754548 Pd 3.77075052 0.02063635 3.81817175 0.28626211 -0.42722587 -0.17846770 Pd 5.72112304 1.90873655 3.78945436 -0.25800986 -0.43712285 0.20065803 Pd 5.67966990 0.03238898 5.70986701 0.28258955 -0.68619304 -0.26886270 Pd 3.78354458 1.90920319 5.71692611 -0.19096079 -0.15751091 -0.36956407 Pd 7.62606125 0.02476195 3.80655239 -0.22058916 -0.46196111 0.06686972 Pd 9.44793109 1.92649827 3.82016542 0.68662376 -0.40687984 -0.14168447 Pd 9.50804427 0.00188522 5.69410906 -0.35419690 0.42980962 0.04423931 Pd 7.58307709 1.92532586 5.70811233 0.27504466 -0.64284233 -0.02057999 Pd 0.02911956 3.75455088 3.79087365 -0.76511802 0.07215222 -0.09861185 Pd 1.90751570 5.68076973 3.77384645 -0.29997410 0.26685329 0.07313175 Pd 1.88029560 3.80832015 5.67761922 -0.33319769 -0.43643709 0.13057740 Pd 0.00123328 5.65869517 5.65950086 -0.53339611 0.23577546 0.11664725 Pd 3.80464719 3.78315517 3.79529182 -0.21192643 -0.26892126 0.17700485 Pd 5.71633453 5.65413294 3.77193162 -0.16024478 0.49658430 0.38123512 Pd 5.71136877 3.79106642 5.70829373 -0.24323351 0.08969229 -0.12972378 Pd 3.73015010 5.64599029 5.71197569 0.53688546 0.40939203 -0.40607825 Pd 7.61590023 3.80625433 3.82572672 -0.30185743 -0.14671119 -0.32417015 Pd 9.46352103 5.66244674 3.82300366 0.66446411 0.42753186 -0.34778191 Pd 9.44993007 3.81532409 5.67121720 0.97909645 -0.15333603 0.34907276 Pd 7.58218521 5.71406744 5.68051546 0.14970431 0.26485305 0.23275382 Pd 0.00088190 7.58692076 3.77317884 -0.30493698 0.09892945 0.36224995 Pd 1.91813339 9.46010338 3.75471913 -0.08053790 0.34423811 0.33961545 Pd 1.89947818 7.54452438 5.71549229 -0.21762490 0.69659913 -0.30245239 Pd 0.00950495 9.45884918 5.71668466 0.46091236 -0.30483913 -0.15255914 Pd 3.81042463 7.58762340 3.81427355 -0.32935324 0.08230231 -0.21372631 Pd 5.69546080 9.45453412 3.78789123 0.06270485 0.59895316 -0.03213034 Pd 5.64915057 7.54661354 5.69280383 0.36335684 0.48867311 -0.26724064 Pd 3.79235106 9.50167491 5.68617770 -0.22403632 0.32739459 0.12482645 Pd 7.59858813 7.61214921 3.79969023 -0.06324085 -0.17309281 -0.18223188 Pd 9.49281803 9.45089592 3.82580132 -0.25862501 -0.18187797 -0.12999318 Pd 9.48425251 7.58733670 5.69868138 0.33834963 -0.03642405 0.18172595 Pd 7.57595467 9.46038269 5.69895257 0.13376153 0.42596263 -0.08288909 Pd 0.03530418 0.00674937 7.59227395 0.36327454 0.39240682 0.09882994 Pd 1.89105048 1.92983934 7.61278448 -0.20972797 -0.37994128 -0.09302291 Pd 1.91043384 0.03095470 9.48038195 -0.00495224 0.30212690 -0.39627093 Pd 0.02399778 1.90184918 9.50054407 0.36815998 0.04248352 -0.45139864 Pd 3.79519195 0.03316085 7.55913080 -0.29563898 -0.64764589 0.27117367 Pd 5.68646775 1.87435764 7.54776887 0.27614094 0.24130656 0.81197975 Pd 5.68491243 0.02532429 9.48017911 0.15258162 0.22358547 -0.41055459 Pd 3.79785829 1.86891756 9.46391755 0.11251027 0.17320680 0.37190715 Pd 7.63422707 0.00849238 7.57616874 -0.19566986 -0.28741457 0.06624917 Pd 9.46307343 1.92573922 7.57886421 0.44127235 -0.12501300 0.16617152 Pd 9.45348855 0.01310016 9.48604992 -0.45350311 0.54676249 -0.56060256 Pd 7.59618379 1.87762969 9.47231061 -0.14608216 0.19836127 0.11716974 Pd 0.01080096 3.81410270 7.60921693 -0.36502719 -0.27343510 0.01355363 Pd 1.87472094 5.69976941 7.60456717 -0.00190553 -0.09408167 0.35886792 Pd 1.94045472 3.76426475 9.51108181 -0.27568399 0.18021173 0.31158796 Pd 0.00702429 5.66970082 9.46302099 0.29778871 0.10713764 -0.13851709 Pd 3.76381351 3.81336668 7.54521160 0.25134932 -0.29091958 0.80780041 Pd 5.67169410 5.72241185 7.55207322 0.31361472 -0.36792644 0.73400540 Pd 5.68104725 3.80027447 9.46467263 0.21876912 -0.25121962 0.15086472 Pd 3.82002171 5.65976993 9.50051417 -0.17913684 0.25331123 0.25061161 Pd 7.60655250 3.82182535 7.54529341 -0.26781333 -0.23782332 0.82770503 Pd 9.46230383 5.65950004 7.59673667 0.45021380 0.46570978 0.09921776 Pd 9.43867846 3.81046445 9.50925605 -0.17080352 -0.23506316 -0.30854919 Pd 7.61282835 5.66454393 9.50400688 -0.38512156 0.28465936 0.14300136 Pd 0.01866863 7.57596858 7.55976684 -0.40081460 0.07673338 0.37897938 Pd 1.87899343 9.46714403 7.63468655 0.17101317 0.14365595 -0.21839998 Pd 1.91948638 7.54877872 9.49989994 -0.18577346 0.14395319 0.14395865 Pd 0.03702274 9.50916994 9.48103739 0.55501392 -0.72959601 -0.55300401 Pd 3.81953286 7.58751098 7.56163221 -0.47652881 0.32541638 0.58891766 Pd 5.71691150 9.48765486 7.55081377 -0.29541717 0.38273731 0.41558093 Pd 5.67224979 7.59680552 9.48665202 0.16743754 0.03321061 0.30085791 Pd 3.75774076 9.44779010 9.51148388 0.13712430 -0.27917509 -0.46211903 Pd 7.55209918 7.60921528 7.59854577 0.48929768 -0.16963394 0.28763369 Pd 9.45969238 9.45815544 7.57164966 -0.43318160 -0.41894013 0.19293230 Pd 9.44728043 7.55681737 9.51260938 -0.49223782 0.13886184 -0.59854498 Pd 7.55645228 9.50113796 9.49793345 0.07671088 -0.55952678 -0.53536766