108 Lattice="11.348753772205548 0.0 0.0 0.0 11.348753772205548 0.0 0.0 0.0 11.348753772205548" Properties=species:S:1:pos:R:3:forces:R:3 energy=-347.8842501721889 stress="-2.1114826345624964 0.19339719089222562 0.8205996744752806 0.19339719089222562 -2.474298497422602 -1.3853553588744774 0.8205996744752806 -1.3853553588744774 -1.9058952924569659" pbc="F F F" Pd -0.00268868 -0.02204975 -0.02232791 0.84497056 0.81534301 0.82462626 Pd 1.92717690 1.86655884 -0.01678512 -0.50797710 -0.30425639 -0.11556806 Pd 1.90901962 0.01327588 1.90675947 -0.33761546 -0.19516694 -0.20244887 Pd -0.00727527 1.87352750 1.87816945 -0.00293211 -0.15720537 -0.20524023 Pd 3.74935098 -0.00736188 -0.00782526 0.15398516 0.44586856 0.53873978 Pd 5.64205027 1.91416309 0.03295312 0.21487390 -0.50270506 -0.45338484 Pd 5.70341839 -0.03518304 1.90790093 -0.20221814 -0.13405063 -0.39946565 Pd 3.79203529 1.88949526 1.91519809 -0.22842396 -0.59893594 -0.36789972 Pd 7.53338316 0.01680408 -0.00649492 0.16379767 0.67521913 0.72173420 Pd 9.42806369 1.88506260 -0.03243433 -0.60913220 -0.08924872 0.73194465 Pd 9.48717198 0.02701440 1.92276795 -0.69445873 0.63861490 -0.23122898 Pd 7.57167474 1.91038564 1.92507538 0.35387139 -0.53141970 -0.77755306 Pd 0.03538448 3.76472008 -0.01861177 0.45123775 -0.03741435 0.48914844 Pd 1.86514036 5.70832140 -0.00462501 -0.21109291 -0.05437831 -0.31909925 Pd 1.90408084 3.77813346 1.87114096 -0.76578704 -0.13651067 -0.12527611 Pd -0.01382866 5.68115879 1.89266681 -0.29948528 -0.07996973 -0.21475023 Pd 3.72294723 3.75433208 0.02307153 0.13066582 0.17612436 -0.87538111 Pd 5.70439863 5.66143983 0.00889592 -0.10765923 0.09709799 -0.60149438 Pd 5.63836756 3.78206308 1.83653902 0.34236189 0.14720199 0.23703757 Pd 3.77655965 5.65297274 1.84871643 -0.11415400 0.40381921 0.04196923 Pd 7.59585648 3.79864317 0.01888412 0.18971564 -0.22582163 -0.28499083 Pd 9.42219790 5.65294681 -0.03262133 -0.34669477 0.08537641 0.56461078 Pd 9.49378355 3.74696396 1.92714452 0.25838946 0.07376744 -0.45090759 Pd 7.57016528 5.70882444 1.88539762 0.33557361 -0.33088363 -0.32531386 Pd 0.02786984 7.59456735 0.02055572 0.40692488 0.06172041 0.39833498 Pd 1.89350509 9.48508049 0.01310879 -0.00121845 -0.68980306 0.56302271 Pd 1.83316001 7.56655900 1.92034038 0.22101946 0.13868646 -0.37260593 Pd 0.03483596 9.42402648 1.91062787 0.33506207 -0.31696332 -0.06105314 Pd 3.79605928 7.54221857 0.02191724 -0.12612809 0.45989771 -0.29793510 Pd 5.66056554 9.48775226 -0.01757968 0.00573421 -0.57550874 0.56003412 Pd 5.68523319 7.58400753 1.90126663 -0.33533896 0.37443000 -0.60442787 Pd 3.74490233 9.46534920 1.88129475 0.14710775 0.10728150 -0.19019234 Pd 7.55425855 7.56516749 -0.02518976 0.27215588 0.30311272 -0.16741539 Pd 9.44309292 9.48452041 -0.02479785 -0.76937393 -0.84500743 0.80888595 Pd 9.44502133 7.53647879 1.92045373 0.33038273 0.49096903 -0.55146647 Pd 7.57160590 9.42879972 1.85942190 0.31606836 0.40737867 -0.26441995 Pd -0.02106862 -0.00058467 3.78281931 0.53050215 0.45293320 -0.05246066 Pd 1.88043359 1.89451564 3.80743274 -0.24976086 -0.45195728 -0.22846966 Pd 1.89960520 -0.03033605 5.67218346 -0.29164501 -0.15140502 0.12413493 Pd 0.00998980 1.89033015 5.64414390 -0.34183054 -0.40575912 0.34609486 Pd 3.79848995 0.00185691 3.81655065 -0.06970810 -0.49095744 -0.13121850 Pd 5.64137374 1.90468647 3.76758552 0.32084576 -0.39802694 0.06687260 Pd 5.69905715 0.00269340 5.69624095 0.00421141 -0.43457088 -0.07238962 Pd 3.80830391 1.88490216 5.69977035 -0.43620511 -0.32361095 -0.18323667 Pd 7.55860170 0.02893886 3.75070361 0.26312985 -0.39227830 0.25326647 Pd 9.47254270 1.86157388 3.82659247 0.35168195 -0.10701227 -0.19600058 Pd 9.46632065 0.02839155 5.65683071 -0.52018784 0.30313990 0.12852912 Pd 7.56081837 1.92032015 5.70187654 0.21937101 -0.65365796 -0.28837846 Pd -0.01788526 3.78896548 3.79326668 -0.56925815 -0.16855716 -0.38941457 Pd 1.88021089 5.63923007 3.79498743 -0.46873603 0.47738625 -0.41620733 Pd 1.83978738 3.81215292 5.63825702 0.13621431 -0.30701390 0.70598928 Pd -0.01947129 5.64337084 5.66894079 -0.44772025 0.39271950 0.22131365 Pd 3.75500535 3.80071392 3.80013864 0.21218848 -0.18860181 -0.22000675 Pd 5.66484958 5.71115344 3.77430395 0.17717711 -0.37096844 -0.16354992 Pd 5.68019923 3.77250391 5.64291399 0.14513289 0.35777282 0.20059491 Pd 3.78300126 5.69004679 5.63952773 -0.14531566 -0.10513008 0.70058554 Pd 7.57676606 3.77830370 3.73809442 0.12909093 0.18757567 0.17367139 Pd 9.46527461 5.69073029 3.75330041 0.38681538 -0.18457118 0.13721061 Pd 9.42202335 3.74788949 5.65889557 0.61198491 0.43199335 -0.00520218 Pd 7.55958830 5.70931879 5.65745649 0.28299634 -0.36607058 0.12524312 Pd -0.03625795 7.55972482 3.83268374 -0.28710402 0.13481027 -0.17932315 Pd 1.91527836 9.43124078 3.77795718 -0.31557633 0.52473571 0.02203513 Pd 1.88411274 7.58857916 5.64801656 -0.37834046 -0.16522933 0.40494203 Pd 0.02853560 9.43604808 5.70360334 0.18894366 -0.16309208 -0.08355802 Pd 3.77506880 7.53233336 3.82010472 0.12237111 0.77151453 -0.54381998 Pd 5.69219165 9.48296507 3.75128341 -0.32347463 0.33371302 0.13476101 Pd 5.69418035 7.57216823 5.71306950 -0.14366973 0.53418200 -0.18352708 Pd 3.75259738 9.47035320 5.70827336 0.29460323 0.45029828 -0.24122171 Pd 7.54324995 7.59834227 3.75414598 0.53190245 0.23404794 0.16163219 Pd 9.48139029 9.48515618 3.76753831 -0.55224346 -0.57532147 -0.03514428 Pd 9.42376426 7.52885187 5.64158777 0.49761458 0.56086150 0.09510310 Pd 7.56626653 9.43259240 5.63554427 0.29410880 0.48008906 0.20389496 Pd 0.00333256 -0.02275143 7.57937647 0.65201007 0.62957179 -0.12385877 Pd 1.92585923 1.88050399 7.57782354 -0.63195254 -0.13937568 0.05570751 Pd 1.92331093 0.02697138 9.42929869 -0.13333366 0.28825616 -0.31248390 Pd 0.02845057 1.81958021 9.41996484 0.42480160 0.16751423 -0.53103055 Pd 3.78864082 -0.00321266 7.60023317 0.06617214 -0.37436556 -0.02426319 Pd 5.65993554 1.92407892 7.54856853 0.20296976 -0.45379118 0.62618768 Pd 5.68434241 0.00853423 9.43392863 0.00084581 0.32353471 -0.28949866 Pd 3.81649751 1.87808546 9.48950868 -0.14433182 0.04419391 0.22340261 Pd 7.54479411 0.01459919 7.58053228 0.45895875 -0.24284492 0.08898227 Pd 9.46964171 1.90335723 7.53432328 0.26210348 -0.36084037 0.39507505 Pd 9.49232671 0.03553927 9.46116279 -0.72417245 0.72583870 -0.76804780 Pd 7.58641924 1.84564200 9.44603577 0.07625887 0.05409300 0.19479338 Pd -0.02022219 3.79411421 7.52833368 -0.17278999 -0.25105338 0.43052346 Pd 1.88567010 5.69831884 7.63390654 -0.19278485 -0.13583556 -0.36680446 Pd 1.84329875 3.78239630 9.46729257 -0.00045761 -0.21064849 0.20704012 Pd -0.00631603 5.64590543 9.44842469 0.26699092 0.11042386 -0.36208719 Pd 3.76851471 3.78143349 7.55163393 -0.25699411 0.15826077 0.38198665 Pd 5.64163743 5.67590301 7.57726557 0.28924251 0.01294768 0.14729712 Pd 5.66915206 3.80335134 9.42361363 0.12316194 -0.27524881 0.60736591 Pd 3.78964617 5.65727368 9.49300990 -0.11402896 0.15273597 0.34222941 Pd 7.60098042 3.78999565 7.57764446 0.08082627 0.15437131 0.34648588 Pd 9.44373890 5.71145057 7.57508568 0.27404822 -0.20317591 0.29952868 Pd 9.43685505 3.72512051 9.48314722 -0.41927768 0.12145395 -0.48818045 Pd 7.53220203 5.65733164 9.48908921 0.51096976 0.11913760 0.17513085 Pd -0.00879097 7.57435588 7.56570188 -0.22693251 0.03621421 0.16906607 Pd 1.88780903 9.44775341 7.54324844 -0.20883458 0.29934971 0.47733239 Pd 1.86833937 7.54905745 9.43823538 -0.08528225 0.36500794 0.39604047 Pd 0.02689317 9.45251951 9.44616842 0.66861800 -0.68392532 -0.71471511 Pd 3.79220323 7.60020838 7.56888165 -0.11573054 -0.08516562 0.34852904 Pd 5.67054507 9.48682839 7.57351509 0.27375859 0.26210665 0.20175409 Pd 5.70749055 7.55458024 9.47127306 -0.09737321 0.26596875 0.26486119 Pd 3.81752951 9.42204621 9.42371362 -0.15134314 -0.28755495 -0.22423928 Pd 7.57856261 7.58792239 7.58994003 0.31964154 0.23690897 0.42259015 Pd 9.42947270 9.46783235 7.56062185 -0.58496406 -0.71749949 0.09733249 Pd 9.49173148 7.52837652 9.49083772 -0.78276929 0.17129598 -0.68992040 Pd 7.57444047 9.43988373 9.48570285 0.11765699 -0.59850133 -0.61742821