108 Lattice="11.348754713333618 0.0 0.0 0.0 11.348754713333618 0.0 0.0 0.0 11.348754713333618" Properties=species:S:1:pos:R:3:forces:R:3 energy=-347.7410466561994 stress="-0.007633310268540234 -0.0008928980410382267 -0.000661888857425711 -0.0008928980410382267 -0.007330513999164253 0.0003866759749030583 -0.000661888857425711 0.0003866759749030583 -0.0074856029869505335" free_energy=-347.7410466561994 pbc="F F F" Pd 0.00924198 0.03506711 0.02751507 0.60773775 0.65456762 0.63727936 Pd 1.86576887 1.90005889 0.03036448 -0.10646172 -0.14425441 -0.47757681 Pd 1.84978457 0.03778462 1.89792822 -0.09996019 -0.53252858 -0.18107389 Pd 0.02150484 1.91386240 1.92581852 -0.51288724 -0.12018338 -0.30878603 Pd 3.75619600 0.00169803 0.02858442 -0.02542166 0.36718186 0.29207363 Pd 5.71274718 1.87783294 0.00902528 -0.17273508 -0.15344243 -0.41029987 Pd 5.64783795 0.03084766 1.88691042 0.38757636 -0.59764921 -0.35333672 Pd 3.74976971 1.84655259 1.88332823 0.12420704 0.29416899 -0.29447377 Pd 7.56883645 0.03194111 0.01461193 0.17558664 0.47653062 0.54370398 Pd 9.48601677 1.92294313 0.01977513 -0.59134366 -0.17187139 0.40803532 Pd 9.46184898 0.03763111 1.91486599 -0.42703234 0.33419800 -0.26637024 Pd 7.60018853 1.90043617 1.88372144 -0.10216952 -0.34850305 -0.28729346 Pd 0.01145625 3.78381118 0.00636622 0.40513912 0.02818450 0.41168770 Pd 1.91899168 5.71028265 0.03588461 -0.18608752 -0.19232446 -0.62693887 Pd 1.90261764 3.79760959 1.87888547 -0.28751892 -0.11303348 -0.20931728 Pd 0.03559973 5.71018708 1.85637770 -0.60692116 -0.16191406 -0.05122495 Pd 3.80103641 3.78803090 0.01812784 -0.15291302 -0.21070206 -0.60147517 Pd 5.66262969 5.66971207 0.02690743 0.23584407 0.12409392 -0.67455491 Pd 5.68444377 3.77719028 1.85121638 0.08368574 -0.41749525 0.23800979 Pd 3.81175797 5.63793853 1.92862191 -0.29847565 0.16105580 -0.52366078 Pd 7.56628508 3.81678162 0.00528641 0.24445461 -0.20230161 -0.53615574 Pd 9.44406208 5.65225467 0.00456526 -0.36619841 0.14830810 0.44574764 Pd 9.44253281 3.74890299 1.86485283 0.60202482 0.15916406 -0.05742249 Pd 7.58716191 5.64619584 1.92816375 0.10899267 0.32089814 -0.66312991 Pd 0.02599843 7.57058225 0.03233864 0.43104538 0.23296827 0.37509606 Pd 1.90040775 9.46936215 0.02747445 -0.02052239 -0.56479833 0.52289834 Pd 1.90606695 7.56773459 1.87141437 -0.29562955 0.62281971 -0.07463424 Pd 0.02031103 9.49064312 1.88274908 0.58678149 -0.68571663 -0.00594970 Pd 3.80850879 7.55505005 0.02432567 -0.13606709 0.35617313 -0.49174962 Pd 5.67226372 9.46041828 0.01704557 0.14388071 -0.45385984 0.48695259 Pd 5.64542316 7.53314438 1.88700281 0.57997462 0.66703819 -0.24630848 Pd 3.80701772 9.45827535 1.89219225 -0.18995883 0.41673930 -0.20587087 Pd 7.57427406 7.57570653 0.03381430 0.15638956 0.10290390 -0.16057345 Pd 9.45626267 9.45576350 0.03188106 -0.66880021 -0.71073381 0.69657767 Pd 9.45821132 7.56055237 1.91996021 0.34112348 0.22844616 -0.39211215 Pd 7.62073803 9.44903919 1.91690877 -0.15800215 0.25824794 -0.27198248 Pd 0.03618351 0.01267784 3.79268687 0.19722201 0.26422294 0.01220046 Pd 1.86132163 1.92431582 3.80120659 0.06324161 -0.50883852 -0.17129013 Pd 1.87417447 0.01811161 5.69327055 -0.05957060 -0.55269976 -0.19141010 Pd 0.00909259 1.89638051 5.67240391 -0.60219908 -0.15281185 0.09014231 Pd 3.79039172 0.00027941 3.72879299 -0.36881592 -0.61374936 0.37781846 Pd 5.65102672 1.82516776 3.77906385 0.27034044 0.43816781 -0.10276622 Pd 5.65801052 0.03579687 5.71163306 0.11324200 -0.74423769 -0.09387508 Pd 3.75238568 1.89111813 5.66342771 0.16686424 -0.30905004 0.02272267 Pd 7.59413704 0.01902039 3.79187192 -0.08459330 -0.60843785 -0.08802880 Pd 9.42404114 1.85206806 3.75587002 0.70762962 0.11502536 0.19030671 Pd 9.46994258 0.03373296 5.64538710 -0.43509279 0.43358957 0.21133993 Pd 7.52847246 1.90404399 5.64964237 0.63661302 -0.46321647 0.20970186 Pd 0.03648307 3.81371873 3.78836144 -0.77583528 0.11625512 -0.10270378 Pd 1.88696170 5.69311654 3.75627034 -0.26008877 -0.02379020 0.17703849 Pd 1.85788038 3.78469969 5.67101660 -0.07173497 0.20901431 0.22595083 Pd 0.02780966 5.70736417 5.72130546 -0.74209032 -0.25179982 -0.30541001 Pd 3.81029802 3.77881661 3.80772570 -0.18263788 -0.26790908 -0.27577363 Pd 5.68297172 5.65861852 3.77870224 0.22260710 0.12949327 0.10331560 Pd 5.67318207 3.81322371 5.71122948 -0.00230566 -0.41513412 -0.38567753 Pd 3.77989815 5.66428469 5.65540571 -0.15040899 0.08767319 0.15146121 Pd 7.60233186 3.78980938 3.81197042 -0.18823089 -0.33766855 -0.32243660 Pd 9.42250014 5.68754438 3.75152124 0.77406331 -0.09742128 0.26350077 Pd 9.42262338 3.75041685 5.69444192 0.72651245 0.07110244 -0.09974139 Pd 7.55440163 5.65404616 5.68211542 0.52115750 0.28481709 -0.10611377 Pd 0.00128683 7.55657648 3.79333210 -0.24749231 0.41176453 -0.02965834 Pd 1.87093688 9.44616066 3.78620056 -0.11278883 0.18028206 0.04738369 Pd 1.90745536 7.53076479 5.71202979 -0.38089542 0.77472351 -0.52774888 Pd 0.01747049 9.48163020 5.72910344 0.44616765 -0.54108089 -0.12568265 Pd 3.79629214 7.55764471 3.75417515 -0.25213761 0.50861305 0.33795077 Pd 5.65707555 9.45101673 3.79146187 0.13491894 0.56179267 -0.16253190 Pd 5.69445254 7.59707706 5.65763881 -0.12523819 0.07889473 0.10502433 Pd 3.77723895 9.45724936 5.70728537 -0.11978285 0.44404725 -0.27146334 Pd 7.57224849 7.59556602 3.78070456 0.24999297 0.25004882 0.09649648 Pd 9.48061394 9.46483061 3.78691273 -0.45528105 -0.47083885 0.09987758 Pd 9.46993065 7.53249139 5.66873512 0.19408105 0.53946736 0.00637382 Pd 7.54286898 9.49384122 5.68840015 0.48919072 0.16182367 0.03236504 Pd 0.00649480 0.02823405 7.54356557 0.49539004 0.52402831 0.26314809 Pd 1.89114759 1.87510071 7.54325103 -0.45473597 -0.10293805 0.80150009 Pd 1.90688157 0.01172542 9.45539899 -0.13026639 0.65553968 -0.63486311 Pd 0.00531688 1.91752306 9.48524815 0.65873648 -0.19694572 -0.66536893 Pd 3.77324849 0.00728129 7.54672245 0.11979383 -0.31279809 0.49092115 Pd 5.70225494 1.92530161 7.52939394 -0.23169269 -0.60640955 0.80668185 Pd 5.73881399 0.01106665 9.48303798 -0.16133378 0.49731378 -0.62407119 Pd 3.80896836 1.90008944 9.42562354 -0.06857320 -0.27713432 0.35898869 Pd 7.60357627 0.03518398 7.59237657 0.14136013 -0.24043390 0.04980357 Pd 9.44344184 1.92567845 7.58784766 0.28422296 -0.44074991 0.14070796 Pd 9.46152592 0.02603788 9.47811637 -0.73590117 0.75937576 -0.69110818 Pd 7.54848736 1.89690473 9.47672326 0.25832874 -0.14751861 0.28529424 Pd 0.00436434 3.78066475 7.60218949 -0.40818349 -0.10242025 0.17271950 Pd 1.84185372 5.68148485 7.60042212 0.20487889 -0.35641686 0.26167931 Pd 1.85754464 3.80656989 9.48804501 -0.07345214 -0.29853656 0.24215620 Pd 0.01541565 5.72297973 9.47215138 0.27435372 -0.03736352 -0.28425781 Pd 3.76437079 3.76652534 7.56633200 -0.14828851 0.16062303 0.34627565 Pd 5.67557728 5.68070712 7.52896060 -0.11088400 0.21867091 0.78636841 Pd 5.68479074 3.81615210 9.45654407 -0.13900767 -0.20568001 0.42602494 Pd 3.75470063 5.64529132 9.44127612 0.14338064 0.26394072 0.43835666 Pd 7.57698742 3.77551775 7.59200112 0.36884408 0.10810407 0.33483512 Pd 9.46249022 5.67607259 7.53896221 0.32050669 -0.11201458 0.50839722 Pd 9.46653015 3.74865983 9.47658092 -0.48334076 0.11345878 -0.43907627 Pd 7.53448678 5.64540345 9.46316510 0.43408538 0.31196382 0.22595637 Pd 0.03506604 7.54031888 7.54304709 -0.55661955 0.68644541 0.47228050 Pd 1.89351257 9.49475563 7.54525848 -0.17587813 0.15595580 0.34934753 Pd 1.90003767 7.60230660 9.43122312 -0.17741112 0.24909682 0.34122566 Pd 0.00939994 9.48672098 9.42609441 0.73558041 -0.77232227 -0.78924420 Pd 3.74876665 7.53923872 7.53319847 0.28231636 0.42634444 0.66288389 Pd 5.63978831 9.44635931 7.55959099 0.29119619 0.36640633 0.29549613 Pd 5.65809408 7.62214987 9.43421637 0.13999016 -0.13657669 0.23195380 Pd 3.79373198 9.46113112 9.44435562 -0.14074477 -0.35763025 -0.45190184 Pd 7.58800102 7.53910002 7.54489793 0.15422614 0.68289622 0.53223088 Pd 9.44026829 9.46915601 7.59966785 -0.61958340 -0.61929617 -0.10242413 Pd 9.42377539 7.59290838 9.42471750 -0.55181817 -0.03166953 -0.47779785 Pd 7.57869705 9.49285024 9.47075893 -0.04543761 -0.69981967 -0.74956891