108 Lattice="11.370552256612278 0.0 0.0 0.0 11.370552256612278 0.0 0.0 0.0 11.370552256612278" Properties=species:S:1:pos:R:3:forces:R:3 energy=-337.11043845902464 stress="-2.731640512797367 0.21648272650811506 1.136116348258568 0.21648272650811506 -3.555877989449211 -0.36453129139897733 1.136116348258568 -0.36453129139897733 -3.7782440006654756" pbc="F F F" Pd -0.03530031 -0.03260190 0.01062300 0.71332436 0.68634649 0.71299640 Pd 1.89488456 1.85449840 0.02028374 -0.22052999 0.28026856 -0.18722682 Pd 1.90582708 -0.00696956 1.91390586 -0.35480342 -0.29619333 -0.15734861 Pd -0.02000614 1.92675002 1.85843802 -0.10708286 -0.25168867 0.05081912 Pd 3.75474061 0.03318848 0.02151806 0.19465057 0.08692501 0.15247030 Pd 5.71153012 1.89177792 0.03636238 -0.22582662 -0.09334480 -0.62730527 Pd 5.68496797 -0.00117783 1.88527668 0.21007047 -0.43342029 0.09044490 Pd 3.78228345 1.84834056 1.93152382 -0.11378135 0.27657404 -0.37432510 Pd 7.58231894 0.02473170 -0.00774513 0.12799278 0.41771039 0.48421312 Pd 9.49212691 1.93424736 0.03729908 -0.53992028 -0.16870500 0.43412419 Pd 9.49548458 -0.03205680 1.87416200 -0.61198603 0.66379630 0.06576516 Pd 7.55660669 1.87347943 1.91970549 0.55241476 -0.07859940 -0.19246164 Pd -0.00179087 3.78293325 -0.01223180 0.50578260 0.08465798 0.38333875 Pd 1.90991232 5.69897305 -0.00796951 -0.18132514 0.06162325 -0.26670978 Pd 1.90067712 3.81259419 1.92044226 -0.39459291 -0.38616317 -0.49170455 Pd -0.01024464 5.70610165 1.88702638 -0.21297219 -0.18616806 -0.20605909 Pd 3.77709561 3.82113741 0.02576387 -0.20149530 -0.52484344 -0.61284077 Pd 5.66173078 5.67824575 -0.02590482 0.09038343 0.20644203 -0.27385444 Pd 5.64007445 3.76486105 1.86251152 0.50912674 0.19326930 0.17794423 Pd 3.78519798 5.66979856 1.91881503 0.16138323 0.60017581 -0.37586438 Pd 7.58475908 3.80730713 0.02479305 0.20564560 -0.14280098 -0.33525890 Pd 9.48084454 5.71448639 -0.02499656 -0.43957853 -0.09335575 0.44821398 Pd 9.51016038 3.77656973 1.90437348 0.17056479 0.12123884 -0.25511635 Pd 7.55130480 5.68242130 1.88274165 0.18046677 0.20233465 -0.17622430 Pd 0.00338887 7.55685648 -0.01503478 0.49598929 0.11240649 0.50166119 Pd 1.89446453 9.47783382 -0.01540054 -0.02062671 -0.46829163 0.55011195 Pd 1.93063826 7.59253112 1.86627125 -0.49864157 0.18370064 0.09127130 Pd -0.02161735 9.46676818 1.88211811 0.65791528 -0.60015436 0.05800125 Pd 3.82419173 7.63512409 0.03279112 -0.24139802 -0.27976742 -0.60051887 Pd 5.66999997 9.48031077 -0.03774819 0.19561052 -0.15170222 0.36642094 Pd 5.69408839 7.63613710 1.88517147 0.14486101 -0.46041935 -0.04904076 Pd 3.81041973 9.47106444 1.92182078 -0.29378454 0.71466116 -0.38078273 Pd 7.54578838 7.57423019 -0.02183525 0.21722490 0.10599427 -0.11871635 Pd 9.46619155 9.44042577 0.02430325 -0.57637754 -0.56219721 0.51507155 Pd 9.48275854 7.55104241 1.87677451 0.12764812 0.24435073 -0.15875397 Pd 7.57007769 9.49240464 1.88911928 0.21781200 0.22311918 -0.23695097 Pd 0.01040245 -0.00251727 3.74191290 0.29330253 0.40314097 0.14075866 Pd 1.85928881 1.90218341 3.78481764 0.15080113 -0.53421194 -0.07646706 Pd 1.89590931 -0.02966396 5.71881369 -0.14043308 -0.09648495 -0.40816583 Pd 0.01744260 1.91730275 5.68514116 -0.56010196 -0.48574898 -0.03343537 Pd 3.81325129 -0.02700818 3.77483199 -0.28308214 -0.37572147 0.16825648 Pd 5.68620717 1.92982406 3.81649963 0.46870324 -0.58750215 -0.29432377 Pd 5.68232306 -0.00312179 5.65067142 0.15677579 -0.47214294 0.25192468 Pd 3.81932404 1.88384550 5.67251776 -0.53107193 -0.43180921 0.13279878 Pd 7.63132474 -0.02102762 3.81757945 -0.10724857 -0.21602847 -0.20391881 Pd 9.46510253 1.89216537 3.79017049 0.43471222 -0.19717087 -0.06182815 Pd 9.51003987 -0.00298732 5.72236192 -0.29977002 0.30208624 -0.08759556 Pd 7.61093135 1.88540150 5.70365175 -0.19339548 -0.10462559 -0.45662414 Pd -0.01023434 3.77091342 3.81696161 -0.49004356 0.26815525 -0.28283749 Pd 1.89915241 5.68530510 3.76823058 -0.38917451 0.20786598 0.21713808 Pd 1.93276021 3.75792268 5.65287431 -0.52389322 0.39209243 0.15382878 Pd -0.03657759 5.68496575 5.70759032 -0.11541621 -0.06561296 -0.11208413 Pd 3.81775359 3.78412177 3.79714674 -0.40037476 -0.13873068 -0.23382700 Pd 5.64803612 5.69761926 3.81082325 0.65951847 0.10734360 -0.49881182 Pd 5.65759272 3.79986212 5.69639831 0.59567068 -0.09387423 -0.20719631 Pd 3.77279790 5.69739292 5.66080801 -0.12093350 0.23832174 0.25740583 Pd 7.61296415 3.81800580 3.76077583 -0.30647738 -0.33106106 0.04997836 Pd 9.46619151 5.69200898 3.75712232 0.61145311 0.11662896 0.09044575 Pd 9.44420936 3.81295450 5.69559413 0.74205286 -0.12632045 -0.14262238 Pd 7.58574781 5.68232491 5.65937242 0.23315030 0.34884393 0.25310877 Pd -0.00723378 7.54372261 3.76017891 -0.22976449 0.36038757 0.01830756 Pd 1.92014830 9.46800201 3.80398010 -0.50704783 0.44524657 -0.42762366 Pd 1.89028400 7.60460205 5.65423945 -0.27881409 -0.21982235 0.27015205 Pd 0.00266741 9.46588051 5.64590196 0.25164126 -0.28611828 0.04284997 Pd 3.81858729 7.62653582 3.82288687 -0.36308149 -0.27070333 -0.55804497 Pd 5.66922652 9.49747611 3.76277156 0.47618978 0.58244827 0.33533732 Pd 5.68664102 7.59287096 5.66395651 0.20842963 0.25048266 0.16171577 Pd 3.77411904 9.48509546 5.66583676 0.18542042 0.60053980 0.44618811 Pd 7.62928824 7.62499461 3.76916853 -0.41479731 -0.20343054 -0.00262108 Pd 9.47061451 9.45681936 3.79145450 -0.13170938 -0.06446831 -0.21880371 Pd 9.48479543 7.61442379 5.66501285 0.40063742 -0.34177549 0.32145568 Pd 7.61813034 9.45880539 5.72176079 -0.14677785 0.61691257 -0.26080102 Pd 0.01495737 0.00807237 7.55803718 0.34204280 0.36028382 0.02881621 Pd 1.86968239 1.92772725 7.55651863 0.55969313 -0.48158228 0.45422518 Pd 1.88909912 0.02557031 9.46098186 0.11840996 0.36377875 -0.45945583 Pd 0.02411412 1.86505640 9.44774042 0.25726090 0.08048008 -0.24517106 Pd 3.75599889 -0.01415296 7.55396447 0.21700015 -0.12341768 0.37000489 Pd 5.67249966 1.90962086 7.57168176 -0.13478665 -0.60296029 0.20485447 Pd 5.71601478 -0.02822714 9.45103820 -0.14747663 0.36866542 -0.41287998 Pd 3.81496659 1.87100256 9.50705516 -0.23007344 0.05342272 -0.10623352 Pd 7.57348049 0.02689871 7.55055326 0.15040101 -0.50982772 0.22681851 Pd 9.45836179 1.90780760 7.55450985 0.55667922 -0.13355844 0.36842729 Pd 9.50607325 0.03622515 9.49498479 -0.69514048 0.62708460 -0.73013790 Pd 7.56419422 1.87611609 9.44062735 0.22928612 -0.04138822 0.43615736 Pd 0.03634217 3.75426727 7.58951052 -0.62834261 0.33118163 0.03752372 Pd 1.89286932 5.66889865 7.55545361 -0.27882099 0.24511305 0.20444405 Pd 1.86994205 3.79576649 9.49901928 0.23708663 -0.09129529 0.18342360 Pd 0.00086061 5.71361018 9.44166580 0.26525392 -0.04431483 -0.32276088 Pd 3.79773706 3.82280452 7.54371873 -0.34321114 -0.47421069 0.81394284 Pd 5.69021611 5.67838223 7.55411380 0.11776110 0.29910145 0.31523364 Pd 5.70511879 3.77978707 9.44694871 -0.21391155 0.07239262 0.59065265 Pd 3.78176965 5.71647768 9.44614013 -0.02518430 -0.28900625 0.57236874 Pd 7.55820323 3.75494127 7.55364920 0.43209583 0.44548511 0.42087409 Pd 9.51084996 5.65861546 7.58644361 -0.08826415 0.37517463 0.09748516 Pd 9.46943079 3.78038452 9.46673091 -0.42351388 -0.06838454 -0.35231790 Pd 7.56601092 5.67738355 9.46342817 0.39747090 0.15077671 0.14477794 Pd 0.01179337 7.59265683 7.54828559 -0.27074886 0.12319950 0.25418210 Pd 1.88898730 9.44960893 7.56670080 -0.09073660 0.35589649 0.20475956 Pd 1.88311113 7.56948346 9.47909292 -0.09821686 0.19597820 0.13464042 Pd 0.00693460 9.49016877 9.50464970 0.67203184 -0.70547884 -0.71416484 Pd 3.79230395 7.57981319 7.58864714 -0.12424520 0.27991766 -0.03778902 Pd 5.70774290 9.44338008 7.58631842 -0.25569254 0.58107735 0.15659091 Pd 5.69035689 7.55903940 9.48172757 0.00407251 0.21759388 0.34826953 Pd 3.77405395 9.47361424 9.48138943 0.00953342 -0.41624595 -0.40536832 Pd 7.54946709 7.60234565 7.55873602 0.72883206 -0.41712771 0.43670628 Pd 9.48948609 9.44453865 7.60022608 -0.40020627 -0.33609290 0.00120417 Pd 9.51013631 7.60032120 9.46238381 -0.64424595 -0.26502296 -0.52080199 Pd 7.58439347 9.43807714 9.49410805 0.01871227 -0.41160146 -0.44912511