108 Lattice="11.348752814957402 0.0 0.0 0.0 11.348752814957402 0.0 0.0 0.0 11.348752814957402" Properties=species:S:1:pos:R:3:forces:R:3 energy=-347.76339628713936 stress="-0.005955039855037965 0.0003720524313841525 0.0007449757407122242 0.0003720524313841525 -0.0059544424300698616 0.0001713395651816909 0.0007449757407122242 0.0001713395651816909 -0.006131545914586349" free_energy=-347.76339628713936 pbc="F F F" Pd 0.00696314 0.01393070 0.03270008 0.69705936 0.65792021 0.62622493 Pd 1.89981994 1.89647307 0.00540891 -0.04082432 -0.40068831 -0.44517451 Pd 1.88865738 0.00132605 1.89506425 -0.07521429 -0.13481722 -0.13739803 Pd 0.02953975 1.92083092 1.83890442 -0.49025532 -0.47850567 0.20146578 Pd 3.74184512 0.01141950 0.00854312 0.03322367 0.40982592 0.40719352 Pd 5.66434954 1.89239074 0.00154724 0.13163757 -0.35793079 -0.44835148 Pd 5.63793088 0.02857981 1.89421678 0.22591908 -0.47728876 -0.32309659 Pd 3.81370905 1.92881803 1.88910193 -0.26654204 -0.85314554 -0.26163198 Pd 7.61044213 0.03215149 0.02636614 -0.08903848 0.51428559 0.58590067 Pd 9.42800704 1.90653527 0.02516441 -0.40136593 -0.06803194 0.44489470 Pd 9.47847317 0.02225122 1.87685600 -0.60916931 0.62982030 0.03796791 Pd 7.54273353 1.92504190 1.89735056 0.40097156 -0.72941614 -0.20520913 Pd 0.02668709 3.72627985 0.01499869 0.09421374 0.21900497 0.13503606 Pd 1.87670176 5.60832507 0.02196276 -0.28953583 0.23957048 -0.57363601 Pd 1.90099277 3.75057674 1.86338014 -0.49343669 0.28836695 0.16320006 Pd 0.01562146 5.70011073 1.91190673 -0.52823779 -0.23224724 -0.28344750 Pd 3.80265060 3.77399896 0.03349289 -0.16845826 -0.11235572 -0.99081965 Pd 5.64166261 5.64696557 0.02600436 0.25947614 0.39611990 -0.75866395 Pd 5.66451338 3.81897753 1.87081313 0.26200984 -0.27099167 0.23569026 Pd 3.77512233 5.66158948 1.85378757 -0.05249774 0.31011181 0.38618713 Pd 7.54194365 3.77395328 0.03495379 0.39525121 0.21392492 -0.54107942 Pd 9.48310499 5.69152203 0.01744702 -0.62807023 0.01097992 0.58545350 Pd 9.42602051 3.76977459 1.90026397 0.48509637 0.20616602 -0.19911016 Pd 7.55373056 5.70604333 1.92123285 0.56186960 -0.18456077 -0.66658023 Pd 0.03685055 7.55181470 0.00288473 0.59649096 0.20592321 0.59095046 Pd 1.90272709 9.48879724 0.03169190 -0.14868567 -0.63481014 0.64045283 Pd 1.87529605 7.53397181 1.89908708 -0.26119093 0.81483084 -0.42135774 Pd 0.00770561 9.48847057 1.92064221 0.66642671 -0.73327692 -0.12921821 Pd 3.71139392 7.54127137 0.02132071 0.10488174 0.35984472 -0.48137004 Pd 5.63952022 9.42905399 0.01437744 0.01021195 -0.27725517 0.18468507 Pd 5.67303982 7.59758324 1.86467419 -0.20657105 0.16221285 0.07855979 Pd 3.79696252 9.46360385 1.88761000 -0.15810376 0.27898621 -0.10436853 Pd 7.53969393 7.56032823 0.01961867 0.39898702 0.16173858 -0.34948387 Pd 9.45103620 9.48956080 0.00576142 -0.72718220 -0.73710871 0.68838019 Pd 9.44162928 7.63783837 1.88617159 0.29074309 -0.09277962 -0.25553340 Pd 7.56145644 9.48095732 1.84958618 0.09062346 0.22612794 0.07013735 Pd 0.01070762 0.03554279 3.77848492 0.32457265 0.33455929 -0.09581217 Pd 1.86539339 1.88859848 3.78338618 -0.16615664 -0.25665544 -0.18580015 Pd 1.92565843 0.02314692 5.65796827 -0.42299615 -0.47444802 0.15307507 Pd 0.02069050 1.90256180 5.65630995 -0.41275613 -0.25450699 0.28414921 Pd 3.79577439 0.03710533 3.80967291 -0.24388215 -0.73130412 -0.39275792 Pd 5.68480892 1.85214697 3.81300259 0.12305481 0.23309410 -0.30286433 Pd 5.63798463 0.00954058 5.67037213 0.26014074 -0.66241610 0.30359154 Pd 3.79334044 1.90238125 5.63819246 -0.17732898 -0.21968898 0.58109016 Pd 7.58194113 0.00432255 3.76511292 0.28375178 -0.36263977 -0.07443940 Pd 9.49057362 1.89764829 3.79289677 0.22583716 -0.31839126 -0.16178381 Pd 9.48342661 0.01379210 5.67133084 -0.53575200 0.41703565 0.05481789 Pd 7.57194191 1.87587848 5.64134113 0.35670819 -0.32599772 0.27657544 Pd 0.00366770 3.76780451 3.80115391 -0.37898227 0.14415985 -0.13123316 Pd 1.86398690 5.70444965 3.77855545 0.10490956 -0.47037349 0.06279717 Pd 1.92443505 3.80047931 5.69547491 -0.44099825 -0.09133312 -0.21075205 Pd 0.01852685 5.70390017 5.68426924 -0.60710735 -0.17289112 -0.02547589 Pd 3.76630852 3.74640534 3.74600725 0.12568837 0.55025173 0.33264939 Pd 5.68104693 5.69358107 3.81301632 -0.30797351 -0.13959911 -0.39381728 Pd 5.65628556 3.81260489 5.71210833 0.26706895 -0.19795534 -0.38431218 Pd 3.80050673 5.71545714 5.69761867 -0.34136663 -0.18434702 -0.29036332 Pd 7.56303664 3.77564248 3.77554031 0.18874506 0.12972787 0.19493155 Pd 9.43702041 5.69517083 3.81957362 0.54067867 -0.02700269 -0.18089954 Pd 9.44486791 3.76788332 5.66946225 0.50385577 0.12803769 -0.01217240 Pd 7.54713272 5.71164867 5.70087136 0.71193643 -0.41379703 -0.19731436 Pd 0.02480160 7.58024667 3.81974257 -0.66632997 0.28122989 -0.35006332 Pd 1.90987153 9.44901316 3.78341871 -0.23029761 0.53083382 -0.22386704 Pd 1.86572056 7.58483870 5.67121303 0.04222338 0.27183515 0.36811655 Pd 0.03395165 9.44683649 5.63741177 0.22040514 -0.18982319 0.22623642 Pd 3.76163629 7.58691100 3.80548978 0.32147154 0.19512796 -0.25312955 Pd 5.66695896 9.48321242 3.83449121 0.10381955 0.17862359 -0.26888742 Pd 5.71187200 7.52942347 5.70813431 -0.51084423 0.93962785 -0.35575876 Pd 3.77154084 9.48629057 5.68083878 0.07343664 0.30114890 0.12397432 Pd 7.56878328 7.54141346 3.75107482 0.33347641 0.93552850 0.18523778 Pd 9.46893481 9.48027024 3.74505818 -0.57077376 -0.48580522 0.08665325 Pd 9.48085090 7.59914019 5.68873159 0.22992137 0.10114361 -0.09968317 Pd 7.56115071 9.42023844 5.66860385 0.44432393 0.48954858 -0.10596794 Pd 0.03446601 0.01568123 7.58264042 0.45610198 0.47109740 -0.05784813 Pd 1.87488057 1.87916542 7.57713162 -0.08196731 -0.06042571 0.19708558 Pd 1.85656073 0.00533533 9.45496434 0.03628590 0.59581665 -0.44015642 Pd 0.01689772 1.92515890 9.42570615 0.37713521 -0.11374727 -0.42301169 Pd 3.73707392 0.01878380 7.59566880 0.22640477 -0.23174176 0.18629233 Pd 5.70709124 1.89683151 7.55043670 -0.31126104 -0.46594676 0.30302461 Pd 5.69739253 0.00094445 9.44247321 -0.14350752 0.47464452 -0.35869206 Pd 3.79590326 1.92135154 9.47245495 -0.07361452 -0.36940714 0.17837840 Pd 7.54102686 0.02090500 7.60410081 0.44660461 -0.36850718 -0.17539063 Pd 9.46452185 1.89392332 7.53923578 0.23946200 -0.30749187 0.20717129 Pd 9.46242937 0.03161511 9.44992443 -0.67069478 0.68493654 -0.70724032 Pd 7.58764218 1.88140295 9.42908560 0.24903150 -0.16107631 0.43640529 Pd 0.00814064 3.81818650 7.54401862 -0.39874055 -0.13256421 0.27385791 Pd 1.90128277 5.66476795 7.56755488 -0.37448307 0.20318824 0.41831132 Pd 1.87643494 3.77404609 9.45400064 -0.10761113 0.04350567 0.31019303 Pd 0.00810254 5.66672726 9.48252632 0.50488816 0.06162894 -0.51219693 Pd 3.80301932 3.79614424 7.55983291 -0.22234302 -0.25766989 0.62358562 Pd 5.66038248 5.69444211 7.59240404 0.11961456 -0.13620921 0.67610773 Pd 5.72689194 3.73773666 9.42547648 -0.21606534 0.21522209 0.58953474 Pd 3.75098840 5.69356127 9.46823523 0.26676628 -0.13704627 0.43964152 Pd 7.59670847 3.78821593 7.55388696 0.18132537 -0.07147319 0.29828124 Pd 9.42949547 5.66602740 7.57420727 0.44698835 0.22579392 0.31430990 Pd 9.47018193 3.73960250 9.44390572 -0.40364826 0.04802300 -0.38554857 Pd 7.56312002 5.63814231 9.48615401 0.35152851 0.27415128 0.18222026 Pd 0.00196049 7.55006211 7.57147236 -0.17500330 0.33475725 0.32078854 Pd 1.89306744 9.47323387 7.57220227 -0.23559298 0.21296345 0.17639406 Pd 1.92580036 7.57306640 9.41978050 -0.50969652 0.25588052 0.40300955 Pd 0.03412320 9.49170519 9.44485495 0.74121038 -0.78264526 -0.72143723 Pd 3.78092665 7.58912322 7.57146347 0.10402043 0.48922652 0.34596022 Pd 5.70528786 9.46923724 7.54116856 -0.16043428 0.31526112 0.47122935 Pd 5.70597843 7.59305570 9.47289007 -0.12848500 0.20233973 0.23512888 Pd 3.75990620 9.46832240 9.48830006 0.11546653 -0.47143080 -0.57350747 Pd 7.53755141 7.55901668 7.54290416 0.90682869 0.48707920 1.05483730 Pd 9.48012157 9.43626938 7.53810443 -0.69361460 -0.58843096 0.25580697 Pd 9.47945305 7.59163668 9.48898611 -0.81812068 -0.03284679 -0.82093203 Pd 7.59170545 9.44229648 9.48478326 0.11202699 -0.61994477 -0.74518455