108 Lattice="11.3173280423529 0.0 0.0 0.0 11.3173280423529 0.0 0.0 0.0 11.3173280423529" Properties=species:S:1:pos:R:3:forces:R:3 energy=-351.61253344139936 stress="-0.006634336113569395 -0.000392334794525241 -0.00048798492624046547 -0.000392334794525241 -0.0068793642965072265 0.00021323592644986785 -0.00048798492624046547 0.00021323592644986785 -0.006867620216173844" free_energy=-351.61253344139936 pbc="F F F" Pd 0.03426854 0.02870994 0.00559921 0.78409155 0.78539366 0.78552696 Pd 1.86698700 1.92204697 0.00023888 -0.18485799 -0.44954168 -0.16645569 Pd 1.87447897 0.02469948 1.91051430 -0.23343102 -0.26627406 -0.44244939 Pd 0.01785907 1.89560569 1.92385962 -0.38324976 -0.26762037 -0.34599168 Pd 3.73752463 0.00076994 0.01352518 -0.10105780 0.44775841 0.40512595 Pd 5.64091271 1.85531288 0.02479781 0.14484517 -0.11997143 -0.66674347 Pd 5.63105970 0.01913325 1.87290386 0.16615488 -0.65292744 -0.18385368 Pd 3.80338908 1.86840605 1.88123807 -0.50074268 -0.18150553 -0.39529976 Pd 7.51186008 0.00443304 0.00205991 0.23204543 0.63967745 0.68778462 Pd 9.44613305 1.85359162 0.02344247 -0.70115379 -0.10570538 0.62846065 Pd 9.44871131 0.01992143 1.88286070 -0.74443233 0.60593689 -0.09988798 Pd 7.52510527 1.88321276 1.89491061 0.62286006 -0.49704669 -0.41369761 Pd 0.01543954 3.78779645 0.03175140 0.28371158 -0.09110201 0.31176675 Pd 1.88407717 5.63585196 0.00302756 -0.16301635 0.24645569 -0.29031097 Pd 1.86959142 3.75792492 1.90692022 -0.20849537 0.14128013 -0.42285489 Pd 0.03143536 5.67000477 1.86502483 -0.38996180 0.10168729 -0.12861154 Pd 3.74039858 3.75501496 0.02996554 0.12835462 0.13593313 -0.47751080 Pd 5.69372508 5.63552143 0.00173127 -0.17866680 0.10337249 -0.43937705 Pd 5.68183672 3.74347419 1.85998868 -0.16240439 0.35741900 -0.05542554 Pd 3.77606036 5.69611116 1.91946708 -0.07809973 -0.49829649 -0.79359293 Pd 7.58205459 3.77867229 0.02980036 0.12480780 -0.24712585 -0.63988038 Pd 9.45466483 5.63006326 0.03758475 -0.40243995 0.20377489 0.29233886 Pd 9.41186480 3.77733187 1.84331563 0.52202726 -0.21383832 0.04020329 Pd 7.54193798 5.66067731 1.87797079 0.23033701 0.14841448 -0.19090769 Pd 0.01668888 7.59382075 0.01656450 0.74078686 0.04219397 0.66995550 Pd 1.92875908 9.45202985 0.03541967 -0.17243080 -0.69390659 0.63974225 Pd 1.90409851 7.53694171 1.91424954 -0.55181915 0.51495326 -0.58352060 Pd 0.01789284 9.41310373 1.89868899 0.71182488 -0.62801287 -0.05975094 Pd 3.79410516 7.55076381 0.03567705 -0.14617086 0.20257597 -0.59237402 Pd 5.65523381 9.46265766 0.01438178 0.10130167 -0.57241836 0.51349949 Pd 5.62158550 7.54726389 1.89115257 0.56196256 0.44649445 -0.63436859 Pd 3.78497800 9.40819471 1.89736202 -0.11386319 0.61227143 -0.25111136 Pd 7.55939046 7.54709752 0.01043206 0.15238316 0.27874000 -0.13966692 Pd 9.40745102 9.42876139 0.01917818 -0.76768987 -0.80077783 0.82636611 Pd 9.42213568 7.51206267 1.91199295 0.27354541 0.40959360 -0.27298688 Pd 7.55591879 9.41257295 1.90069114 0.16239136 0.28826747 -0.34051263 Pd 0.02622935 0.02885707 3.81001858 0.29587131 0.22123361 -0.09907403 Pd 1.89230601 1.89352777 3.78006484 -0.35144039 -0.29497966 -0.03572042 Pd 1.90808241 0.01799816 5.66973194 -0.42574715 -0.48027815 0.02033041 Pd 0.00732393 1.88104985 5.62285298 -0.45444266 -0.18477501 0.26169742 Pd 3.74045774 0.03022983 3.76733150 0.14975957 -0.78544964 0.00335588 Pd 5.63283221 1.88598551 3.76544393 0.33638701 -0.23874551 0.11874957 Pd 5.66977475 0.00537995 5.68665750 0.03821971 -0.60717404 -0.07079020 Pd 3.80570673 1.85710663 5.65289845 -0.08403409 -0.15540880 0.15172262 Pd 7.52156236 0.00106324 3.76415593 0.35359758 -0.29451739 0.01495259 Pd 9.41293264 1.87245441 3.74745076 0.30562814 -0.17754168 0.06727889 Pd 9.44817086 0.00229249 5.63209328 -0.60288935 0.56235055 0.02214077 Pd 7.52193288 1.90435080 5.66537214 0.61978380 -0.50887989 -0.13285107 Pd 0.00724003 3.80443979 3.79605665 -0.47525845 -0.06832034 -0.06555422 Pd 1.91415526 5.64911122 3.82015261 -0.76144160 0.07466876 -0.31237494 Pd 1.91853223 3.72233198 5.70573608 -0.58599970 0.19441450 -0.23316638 Pd 0.02395437 5.63888357 5.67963061 -0.56514258 0.15056867 -0.01950549 Pd 3.74534689 3.79003552 3.77023961 0.29477463 -0.24975283 -0.07808553 Pd 5.62383062 5.69193761 3.80208315 0.48040609 -0.33972309 -0.32986016 Pd 5.65870498 3.80982799 5.65574441 -0.20575914 -0.29844030 0.20391615 Pd 3.73799196 5.69059123 5.65477132 0.24146749 -0.42457220 0.42157351 Pd 7.56844824 3.80762929 3.79414600 0.12466908 -0.36566821 -0.29083036 Pd 9.41702455 5.62527033 3.77010395 0.49572777 0.32481131 0.11090298 Pd 9.44025539 3.76450256 5.68067091 0.58738657 -0.17480416 -0.11041070 Pd 7.52859624 5.62106328 5.68090634 0.59339643 0.65850608 -0.15902783 Pd 0.03056060 7.52296023 3.76851005 -0.33686437 0.37404955 0.12622932 Pd 1.92249190 9.42143775 3.81850884 -0.58581220 0.37856541 -0.28049514 Pd 1.92162156 7.54018748 5.69242198 -0.87108834 0.68147550 -0.18680176 Pd 0.00898959 9.45902995 5.66855719 0.58207098 -0.60078244 -0.01358984 Pd 3.79934767 7.54328234 3.78367358 -0.34112346 0.56204567 -0.01607915 Pd 5.64130078 9.41232702 3.80762607 0.08922365 0.70586291 -0.18592428 Pd 5.64153234 7.53138788 5.69226544 0.32710560 0.63670869 0.10477590 Pd 3.73904081 9.42508695 5.62832088 0.25682731 0.64489962 0.38793994 Pd 7.51379482 7.57574851 3.74862933 0.73833621 0.06064693 0.32697326 Pd 9.44386713 9.46748828 3.74710148 -0.58768823 -0.65226866 0.05886554 Pd 9.43381800 7.57792669 5.69600911 0.13024042 0.10528409 -0.32505985 Pd 7.51770648 9.43093400 5.63214296 0.43937870 0.27250775 0.22669886 Pd 0.02877171 0.02569524 7.56439267 0.53965210 0.50887472 0.05653116 Pd 1.86212437 1.87287008 7.56280521 -0.37274993 -0.50227538 0.27798159 Pd 1.91300954 0.02622818 9.45691611 -0.15081420 0.50588012 -0.54651090 Pd 0.02215274 1.85471386 9.43904392 0.51995732 -0.04624864 -0.55086181 Pd 3.72393737 0.01061602 7.53570923 0.22269679 -0.43364542 0.44180117 Pd 5.67397544 1.86588799 7.54769016 0.03024798 -0.21752787 0.56004150 Pd 5.63286293 0.03492644 9.45165761 0.08208715 0.51064916 -0.59141559 Pd 3.75111390 1.90240838 9.40934903 0.15600576 -0.32197550 0.50200252 Pd 7.58015448 0.02941337 7.54443587 0.19550089 -0.23908964 0.31929522 Pd 9.46302122 1.86741889 7.52776916 0.08487984 -0.17444506 0.31606535 Pd 9.43608651 0.00440696 9.40007628 -0.75275875 0.81572156 -0.74350853 Pd 7.57280185 1.89848959 9.46130321 0.21822898 -0.28099403 -0.02145316 Pd 0.03060744 3.77615425 7.53624072 -0.57055399 -0.12691925 0.35648958 Pd 1.86196722 5.69555797 7.54834880 -0.20729744 -0.33549291 0.56522448 Pd 1.86742603 3.74534092 9.40526774 -0.26093891 0.23331613 0.49241048 Pd 0.00165014 5.70323284 9.40246230 0.45001085 -0.00941458 -0.41836755 Pd 3.74382946 3.73771229 7.53877960 0.31997189 0.29162653 0.44604612 Pd 5.64645553 5.69588820 7.56932246 0.11020681 -0.45115633 0.11250836 Pd 5.68584985 3.78255936 9.39998104 -0.06852852 -0.16609285 0.47630312 Pd 3.78702249 5.67723679 9.40387652 -0.24003571 -0.35573314 0.68851271 Pd 7.57759001 3.78242897 7.53873385 0.21769390 -0.30135849 0.70741177 Pd 9.40861103 5.63741290 7.52583851 0.53084327 0.16595963 0.50805247 Pd 9.46200262 3.73428994 9.44634754 -0.62762202 0.04896976 -0.62184424 Pd 7.50943114 5.68281991 9.42880771 0.62632187 -0.06789664 0.39677602 Pd 0.03313593 7.56816099 7.53094639 -0.30143524 0.42826137 0.35118198 Pd 1.91416044 9.46585717 7.53050721 -0.34011479 0.06395368 0.43392926 Pd 1.91862109 7.52540304 9.45800425 -0.40479263 0.49899773 0.13680331 Pd 0.01990488 9.41573502 9.44919601 0.88369866 -0.84565546 -0.86162085 Pd 3.77015246 7.53068846 7.56169739 -0.12448168 0.88264402 0.39162824 Pd 5.63550387 9.45768578 7.55407373 0.12559975 0.12371323 0.26744146 Pd 5.62236313 7.52182809 9.41728190 0.23964882 0.67946733 0.53110988 Pd 3.75951610 9.42880939 9.44657918 -0.03764922 -0.48330806 -0.51162834 Pd 7.56803440 7.53908630 7.56103231 0.24677367 0.69114814 0.32274167 Pd 9.45496659 9.41055091 7.52060633 -0.73762466 -0.54815727 0.18565767 Pd 9.45942576 7.56449010 9.39812937 -0.68342377 0.04769101 -0.64175436 Pd 7.54881385 9.40232602 9.45718263 0.07582119 -0.72212793 -0.79151142