108 Lattice="11.370552425057584 0.0 0.0 0.0 11.370552425057584 0.0 0.0 0.0 11.370552425057584" Properties=species:S:1:pos:R:3:forces:R:3 energy=-337.1499368458063 stress="-2.3380177625511016 1.9166356462720886 0.12152622554224912 1.9166356462720886 -2.2311176523681233 0.23125929816646362 0.12152622554224912 0.23125929816646362 -2.2302403812412575" pbc="F F F" Pd 0.01813601 -0.00765699 0.00123328 0.49955210 0.54909078 0.65270273 Pd 1.84434295 1.86931672 0.01446305 0.16474883 -0.08588644 -0.18364347 Pd 1.88806309 0.00510768 1.92615039 -0.18998514 -0.22590208 -0.37765807 Pd -0.03114327 1.89778166 1.92118463 -0.19447979 -0.19200803 -0.11360195 Pd 3.80436083 0.02301752 -0.02636407 -0.16466302 0.36503719 0.48167452 Pd 5.67993608 1.92179155 0.03553195 0.29899379 -0.36997158 -0.75727710 Pd 5.70134641 0.03554258 1.88315275 -0.03119867 -0.55689203 -0.23457391 Pd 3.80283064 1.92791159 1.86956179 -0.19545136 -0.54951261 0.02203725 Pd 7.60935670 -0.01405902 0.00181692 -0.10146166 0.62334809 0.47911628 Pd 9.50425158 1.89033132 -0.02873804 -0.58405921 0.08751120 0.63174679 Pd 9.47634225 0.00655248 1.87808677 -0.42659100 0.53305017 0.10454466 Pd 7.60340960 1.91275424 1.89337935 0.24588689 -0.38488601 -0.26711297 Pd 0.00438611 3.74810562 0.03021607 0.23599478 0.10604618 0.21559487 Pd 1.90459702 5.66866504 0.03140845 -0.13426865 0.16360792 -0.49942392 Pd 1.91533256 3.79743926 1.89495096 -0.40798918 -0.36206780 -0.33887905 Pd 0.01442955 5.66434998 1.89179264 -0.47558753 0.16959453 -0.18717643 Pd 3.75405850 3.75642940 0.00752762 0.13049971 0.25541948 -0.71686646 Pd 5.70381563 5.71149077 0.01046066 -0.12425407 -0.13088682 -0.49144774 Pd 5.70349606 3.80310400 1.85116605 -0.02657788 -0.06158926 0.43353115 Pd 3.78645468 5.66071178 1.93070925 0.30580279 0.36317352 -0.69649499 Pd 7.58916044 3.78284976 0.01340517 0.33421189 0.08390791 -0.36063028 Pd 9.47104674 5.67019854 0.00995861 -0.35543538 0.09815461 0.42345728 Pd 9.51076453 3.79693351 1.92451496 0.28075096 -0.09961178 -0.51294063 Pd 7.57211996 5.72002349 1.92750827 0.36356933 -0.22433845 -0.41145993 Pd 0.01961288 7.54892736 0.03095470 0.38814866 0.14378713 0.38165431 Pd 1.90311947 9.47246225 0.02399778 -0.02861614 -0.43725075 0.35123415 Pd 1.90121077 7.60545200 1.90009988 -0.25804854 0.02058608 -0.20364150 Pd -0.02467199 9.50862120 1.87385459 0.57359503 -0.58618046 0.07748406 Pd 3.79196407 7.55963385 -0.02764472 -0.03288247 0.21316136 -0.01292585 Pd 5.68982255 9.46836217 -0.02982606 -0.06262825 -0.44917612 0.48688060 Pd 5.71060050 7.58508704 1.90276622 -0.35124062 0.25833772 -0.21441323 Pd 3.76400963 9.46391755 1.91331004 0.31318590 0.34400396 -0.25938156 Pd 7.58886066 7.57225299 -0.01238692 0.22018755 0.21434064 -0.13921074 Pd 9.50610751 9.47395628 -0.02197181 -0.72801857 -0.68652693 0.72731579 Pd 9.48856051 7.59095785 1.91090758 0.12987809 0.11710796 -0.34369332 Pd 7.56290591 9.47231061 1.88346858 0.19375655 0.20824059 -0.16358725 Pd -0.03467438 -0.00162617 3.81332299 0.53576358 0.47113691 0.00321738 Pd 1.89506998 1.92572562 3.74081663 -0.36818153 -0.56084190 0.42015912 Pd 1.90958527 0.02419889 5.70249994 -0.36217169 -0.29696275 -0.18022122 Pd -0.02591939 1.93071353 5.68388747 -0.12334876 -0.40583015 -0.21440967 Pd 3.75485713 0.00702429 3.73981834 0.12972198 -0.45080583 0.28828686 Pd 5.67283685 1.83184827 3.81336668 0.23081698 0.45583818 -0.10199311 Pd 5.65011953 -0.01358211 5.72241185 0.21603440 -0.37556455 -0.19145407 Pd 3.76188908 1.91025815 5.69536654 0.27416846 -0.45944633 -0.03172192 Pd 7.56958056 0.00944546 3.76467786 0.25437295 -0.38524409 0.06103974 Pd 9.50051417 1.92127629 3.80479184 0.35620913 -0.45928861 -0.14745828 Pd 9.44038548 -0.01315652 5.65950004 -0.13216864 0.22801486 0.09332263 Pd 7.61655221 1.85831018 5.70555653 -0.26204161 0.12573888 -0.30371357 Pd 0.03379570 3.82264421 3.77685284 -0.76251463 -0.20985939 0.08148086 Pd 1.92363860 5.65656978 3.74735195 -0.45211311 0.56182904 0.53662614 Pd 1.91376070 3.80426989 5.66467477 -0.50451247 -0.17435424 0.07001450 Pd 0.00843022 5.67695989 5.71141272 -0.40247224 0.18529626 -0.27925505 Pd 3.80523356 3.76202661 3.81462373 0.22980312 -0.05434897 -0.28421952 Pd 5.66348184 5.66353366 3.82720689 0.43963712 0.18585761 -0.41353528 Pd 5.71898580 3.79576118 5.71462493 0.23115001 -0.47708982 -0.17658677 Pd 3.82777358 5.66654014 5.69787819 -0.42274786 0.29991972 -0.14952356 Pd 7.61293328 3.76062963 3.75518421 -0.37191683 0.11653267 0.25584498 Pd 9.49532817 5.69052081 3.75774076 0.47009173 0.16742115 0.12333475 Pd 9.44779010 3.82620767 5.65700711 0.74560095 -0.18845804 0.10027843 Pd 7.60062897 5.70345370 5.66950824 0.04826880 -0.24926469 0.08263247 Pd -0.01730491 7.57164966 3.74082341 -0.09095539 0.14499255 0.23045779 Pd 1.87154116 9.51260938 3.78998988 -0.14361482 0.18772969 -0.20814107 Pd 1.92076967 7.59876341 5.66332357 -0.48869164 -0.03417565 0.01419365 Pd 0.01864929 9.49906690 5.65363843 0.32001070 -0.49468170 0.16153274 Pd 3.77920576 7.57196012 3.78386577 0.18227161 0.35826458 0.09542505 Pd 5.68980951 9.47226181 3.82021747 0.04132125 0.40293649 -0.20848167 Pd 5.72152939 7.57830558 5.71470188 -0.19958591 0.37614538 -0.24282366 Pd 3.77017865 9.50653271 5.65085784 0.15424000 0.29560284 0.15433395 Pd 7.58805860 7.58695714 3.80455970 0.13811197 0.28589790 -0.14896429 Pd 9.46004337 9.48692914 3.75055194 -0.28424772 -0.31692182 0.09515887 Pd 9.45462196 7.57545184 5.69821486 0.64478385 0.33945380 -0.11039151 Pd 7.60787750 9.50370298 5.68066088 0.04991282 0.27107155 0.18649260 Pd -0.00230629 0.01485768 7.58742503 0.39445335 0.48407793 -0.16837390 Pd 1.88502534 1.91938111 7.56707388 -0.15670821 -0.52593413 0.41047703 Pd 1.86142210 -0.03394579 9.43998438 0.24057839 0.54870368 -0.46415915 Pd 0.01669703 1.86133978 9.49969087 0.50560607 0.17541699 -0.49851869 Pd 3.79998639 0.00100652 7.57080911 -0.20092247 -0.23008662 0.37140635 Pd 5.70413729 1.91250512 7.59205061 -0.09571354 -0.34040659 0.10184901 Pd 5.66879090 -0.01751723 9.47966709 0.11550023 0.46033995 -0.42477315 Pd 3.78591303 1.89573048 9.47778865 -0.13454680 -0.20662946 0.22010869 Pd 7.58428403 0.02394066 7.57858338 0.05753201 -0.33831147 0.34541702 Pd 9.47008823 1.92323100 7.56097324 0.47365073 -0.34624668 0.25778598 Pd 9.49585246 0.01703351 9.45564482 -0.68525421 0.69175105 -0.62218391 Pd 7.55583942 1.92327383 9.50613400 0.32103516 -0.39330776 0.12796404 Pd -0.00343059 3.73470933 7.55832197 -0.41278938 0.25445651 0.34895175 Pd 1.89994072 5.66498707 7.54668604 -0.14493282 0.35753374 0.39143461 Pd 1.90640292 3.81953384 9.44327763 -0.21289436 -0.34955517 0.55813794 Pd 0.03287169 5.65015862 9.45305403 0.17869499 0.15475196 -0.35478969 Pd 3.76246215 3.78756365 7.56530502 0.33773994 -0.13399789 0.44441070 Pd 5.68413713 5.66387744 7.58134448 0.45847183 0.16873739 0.48190709 Pd 5.70126540 3.78002311 9.45348403 -0.01667290 0.13164209 0.52449508 Pd 3.80597614 5.66887589 9.49422770 -0.13144879 0.23866849 0.27700129 Pd 7.64935745 3.77900546 7.58733287 -0.41708308 0.21115221 0.19099912 Pd 9.48195002 5.67872313 7.57661702 0.45914159 0.19109147 0.27734209 Pd 9.47058282 3.79898897 9.47073542 -0.18877590 -0.08381610 -0.15000069 Pd 7.60602162 5.70528731 9.50543316 -0.07167638 -0.03302075 0.11907186 Pd 0.03019654 7.56626311 7.56099486 -0.20701664 0.37317346 0.11068518 Pd 1.93290250 9.50755704 7.55264255 -0.16868937 -0.01224299 0.25277204 Pd 1.88553498 7.57989237 9.44493634 0.12521053 0.10260618 0.12733833 Pd 0.02791456 9.50226982 9.46195194 0.65494321 -0.66213196 -0.70546676 Pd 3.81218523 7.55829973 7.55093480 -0.33905668 0.41989738 0.52653702 Pd 5.66079484 9.46283863 7.57074092 0.27828484 0.35800019 0.19277836 Pd 5.68697961 7.58034896 9.48602654 0.16967555 0.06308692 0.13678004 Pd 3.81820692 9.46193445 9.50187898 -0.20001745 -0.42531310 -0.48546982 Pd 7.61287208 7.56839703 7.56204334 -0.10113109 0.33668391 0.57016274 Pd 9.47210013 9.49650516 7.61321172 -0.41469620 -0.53587688 -0.13099719 Pd 9.46150848 7.59192066 9.50616132 -0.32291521 -0.09514673 -0.54119939 Pd 7.61358172 9.45027257 9.47394000 -0.27390917 -0.39110862 -0.46375343