108 Lattice="11.317328066416819 0.0 0.0 0.0 11.317328066416819 0.0 0.0 0.0 11.317328066416819" Properties=species:S:1:pos:R:3:forces:R:3 energy=-351.73165057932346 stress="-0.006234053585660882 -0.0003465130659110286 0.0003526075400156119 -0.0003465130659110286 -0.006297289411849292 0.0004851976098489234 0.0003526075400156119 0.0004851976098489234 -0.006284811575197104" free_energy=-351.73165057932346 pbc="F F F" Pd 0.00618989 0.03490357 0.01387019 0.71164597 0.68731057 0.66394514 Pd 1.86748313 1.92120313 0.02123047 0.02701321 -0.45318854 -0.36992941 Pd 1.84769068 0.02551759 1.87718284 0.08707224 -0.32678431 -0.12405185 Pd 0.03342131 1.84971258 1.88009404 -0.43108891 0.09924736 -0.09155513 Pd 3.73672155 0.02173113 0.02338737 -0.03077178 0.42577567 0.43603296 Pd 5.64359455 1.86008764 0.02603751 0.11951938 -0.11938757 -0.54485212 Pd 5.69838190 0.02147688 1.86714343 -0.15291779 -0.72048433 -0.21505035 Pd 3.80891208 1.86004148 1.91983340 -0.51336969 -0.29041340 -0.51263716 Pd 7.52943951 0.00413700 0.00369818 0.27077456 0.67211986 0.62905884 Pd 9.45342844 1.87511196 0.02127667 -0.73650977 -0.10615952 0.69853726 Pd 9.45374720 0.01196597 1.88161331 -0.66428842 0.66599886 -0.11892129 Pd 7.54113467 1.86510735 1.92359883 0.68602191 -0.17235120 -0.72332258 Pd 0.02885566 3.73420768 0.01635844 0.21466757 0.06037506 0.32332093 Pd 1.85612169 5.65677141 0.00226902 -0.15002605 0.21471687 -0.46087499 Pd 1.92050753 3.79766720 1.85374848 -0.58132767 -0.35402293 0.18585799 Pd 0.02080661 5.62881179 1.90084461 -0.44320515 0.11596117 -0.24364567 Pd 3.75667049 3.78042970 0.02665283 0.12691978 -0.11724874 -0.70309151 Pd 5.71698168 5.61304240 0.03157555 -0.26149328 0.27328760 -0.57161331 Pd 5.65452336 3.75411092 1.86815349 0.15880368 0.06382868 -0.03899391 Pd 3.74687209 5.65669678 1.87972249 0.32355521 0.23244856 -0.31609558 Pd 7.56702233 3.75918606 0.01573674 0.23908490 -0.31817084 -0.44044727 Pd 9.40542997 5.63245023 0.00327007 -0.38013224 0.19237070 0.38743752 Pd 9.41841240 3.79093682 1.87586954 0.51789980 -0.22197677 -0.18839259 Pd 7.57085827 5.63932138 1.87715837 0.31535341 0.23182090 -0.08156412 Pd 0.02053975 7.55044054 0.02321488 0.58026889 0.13701786 0.63005157 Pd 1.89980195 9.43038036 0.03223736 -0.08359716 -0.64071188 0.62744139 Pd 1.87373005 7.53827690 1.90026641 -0.35137428 0.55838124 -0.51921894 Pd 0.00339133 9.46181858 1.84588858 0.69997317 -0.73840699 0.00800202 Pd 3.79448050 7.56347249 0.03125918 -0.00822731 0.13405754 -0.33331826 Pd 5.65872408 9.46353810 0.00187640 0.03250984 -0.57082127 0.56924220 Pd 5.68732953 7.54758150 1.91631360 -0.13971199 0.22061228 -0.71387834 Pd 3.79517190 9.40825712 1.91520458 -0.20285214 0.45865447 -0.40668751 Pd 7.51943854 7.54557166 0.01805111 0.39297533 0.33791143 -0.21986570 Pd 9.42348557 9.43233422 0.01439534 -0.86686454 -0.84414694 0.87551050 Pd 9.42411065 7.54996914 1.91713427 0.18414412 0.25228913 -0.42555837 Pd 7.51388790 9.41293964 1.91219176 0.41556007 0.40190607 -0.47009764 Pd 0.01411032 0.02290977 3.74506829 0.36910116 0.35593573 0.09319637 Pd 1.88090621 1.91279584 3.80780830 -0.23225693 -0.47099996 -0.52892602 Pd 1.90221631 0.03537620 5.64678060 -0.38811856 -0.53584484 0.13359544 Pd 0.01258730 1.91888722 5.63325327 -0.53070530 -0.52553755 0.19986104 Pd 3.78084608 0.00180842 3.80109914 -0.20056648 -0.68572103 -0.30776666 Pd 5.65392557 1.83631924 3.77429209 0.25072777 0.09904508 -0.06503956 Pd 5.66518584 0.02293346 5.64337895 0.13284250 -0.84206728 0.14862411 Pd 3.78665232 1.89058692 5.62298793 -0.05614330 -0.26429086 0.50262913 Pd 7.57496000 0.00946046 3.74579581 0.35318925 -0.58283542 0.03023910 Pd 9.46236814 1.90636708 3.77966384 0.37123810 -0.33929019 -0.12956644 Pd 9.43096628 0.01436200 5.63783576 -0.42227617 0.48099090 0.08666581 Pd 7.54160139 1.85026481 5.62506730 0.65191135 -0.15048821 0.16072370 Pd 0.00749238 3.75272602 3.79853453 -0.52550546 0.13489459 -0.33708980 Pd 1.89663303 5.67679859 3.78530206 -0.40370953 -0.17291682 -0.26125367 Pd 1.89406947 3.80545973 5.63421459 -0.20503300 -0.09661699 0.37651966 Pd 0.03545045 5.66741503 5.65397219 -0.62927855 0.09345159 0.25658318 Pd 3.80446460 3.76804973 3.79479259 -0.03244653 0.09478572 -0.31673553 Pd 5.66857603 5.69380294 3.77916047 0.13214402 -0.38787584 -0.33455061 Pd 5.68794919 3.76423297 5.69324865 -0.11511078 -0.16545486 -0.39289755 Pd 3.80470714 5.67818510 5.62737030 -0.23050030 -0.26816671 0.45704473 Pd 7.57569517 3.76621489 3.77639060 0.13829326 0.00618390 -0.04582813 Pd 9.45499216 5.67121338 3.79088658 0.39608862 -0.08394016 -0.04165200 Pd 9.43609109 3.74415250 5.69166965 0.46431501 0.11701433 -0.12147736 Pd 7.52374732 5.65984999 5.63802666 0.76241509 0.15969363 0.18144482 Pd 0.02520574 7.54958205 3.78008092 -0.57119016 0.28759534 -0.19058191 Pd 1.86016936 9.41961796 3.79057537 -0.13337610 0.46465766 -0.25272427 Pd 1.89467396 7.53680808 5.64633510 -0.38088701 0.49415717 0.36297273 Pd 0.03050368 9.42960969 5.63679508 0.37003871 -0.38730424 0.14807772 Pd 3.78548152 7.55542537 3.78818416 -0.23032588 0.44069907 -0.27167439 Pd 5.64128340 9.42797172 3.76087361 0.16728264 0.63436800 0.18937868 Pd 5.62415198 7.54326682 5.66941443 0.34339524 0.65586358 0.19622063 Pd 3.76756600 9.46159686 5.64373524 -0.03763159 0.42138758 0.18508004 Pd 7.55931073 7.56897098 3.78958578 0.34462521 0.23492527 -0.11228963 Pd 9.40530867 9.46656142 3.74055424 -0.43625055 -0.48379364 0.05846039 Pd 9.39594509 7.55187678 5.64316155 0.55409352 0.27066165 0.21538094 Pd 7.53250425 9.40485954 5.67703523 0.26058604 0.57285268 -0.06105969 Pd 0.03696179 0.01509509 7.55492847 0.63865014 0.66859816 0.11010697 Pd 1.87548412 1.89562259 7.51949850 -0.24614227 -0.44721056 0.54969542 Pd 1.93285905 0.02606164 9.44564604 -0.12654494 0.67501038 -0.73415342 Pd 0.03601454 1.85935855 9.45129210 0.68587971 -0.03221676 -0.70704549 Pd 3.80608018 0.03230812 7.52425015 -0.17853440 -0.37832457 0.36695531 Pd 5.71690942 1.85764929 7.53983984 -0.24622030 -0.13525577 0.42005325 Pd 5.70730046 0.00839076 9.42282933 -0.11852336 0.35001869 -0.36225426 Pd 3.79845684 1.91050146 9.39966503 -0.11305407 -0.48330597 0.46999884 Pd 7.56921055 0.03684943 7.56439802 0.37769965 -0.47557817 0.14174289 Pd 9.41737492 1.91543268 7.55199464 0.17775959 -0.38053748 0.32410758 Pd 9.41245835 0.00095714 9.44324415 -0.79955148 0.83402996 -0.78532205 Pd 7.51546922 1.87519438 9.45088154 0.51639523 -0.01468682 0.22603367 Pd 0.01113928 3.74015118 7.51734466 -0.35772371 0.12491970 0.45857845 Pd 1.92207623 5.63052726 7.57359734 -0.60622377 0.29107180 0.18281425 Pd 1.90431374 3.78760205 9.41388282 -0.38425982 -0.25778663 0.48780753 Pd 0.03697512 5.63087474 9.45666412 0.44539811 0.08166342 -0.60917032 Pd 3.79481058 3.75059281 7.56344737 -0.08440388 0.07131742 0.08529950 Pd 5.68216007 5.62717436 7.53395839 -0.28301517 0.47938915 0.67161186 Pd 5.65029523 3.76725027 9.43561879 0.18003525 0.02980456 0.50644433 Pd 3.76878543 5.65817565 9.46719019 0.10537636 0.14993522 0.32426763 Pd 7.54283233 3.80173060 7.52497354 0.60407498 -0.39555462 0.66034118 Pd 9.46203362 5.62440678 7.56174975 0.17393985 0.31959340 0.11402509 Pd 9.43766473 3.78675095 9.41576190 -0.52407565 -0.11490589 -0.42137992 Pd 7.55630047 5.65542937 9.41036588 0.34078217 0.12134861 0.39761378 Pd 0.04024802 7.60853631 7.57299579 -0.20358176 -0.13403431 0.14129248 Pd 1.90098855 9.42881123 7.55967351 -0.17863124 0.25358106 0.23820598 Pd 1.86634734 7.53486577 9.45528206 -0.07208018 0.24261314 0.16742806 Pd 0.01661887 9.39751244 9.45522381 0.78103686 -0.68241259 -0.71342588 Pd 3.75477242 7.54588718 7.53537095 0.14083811 0.46618441 0.71995714 Pd 5.67743681 9.44843825 7.55651302 -0.17991985 0.19378176 0.38666819 Pd 5.68426247 7.52745015 9.43529377 -0.11952850 0.38735196 0.16074534 Pd 3.74622632 9.43174214 9.46658070 0.07440239 -0.65228073 -0.63162920 Pd 7.54878280 7.56871396 7.54310883 0.50235962 0.22247401 0.57745394 Pd 9.42575975 9.45911392 7.52558113 -0.72589774 -0.72517993 0.20994667 Pd 9.45140337 7.56183915 9.41138395 -0.79511826 0.12627579 -0.74427753 Pd 7.52047134 9.45915655 9.46163678 0.19142213 -0.79752732 -0.80289698