108 Lattice="11.317326634642889 0.0 0.0 0.0 11.317326634642889 0.0 0.0 0.0 11.317326634642889" Properties=species:S:1:pos:R:3:forces:R:3 energy=-351.39715213058685 stress="-4.18121498900388 -0.37386820027453815 0.12519961875002394 -0.37386820027453815 -4.161071728587842 -2.0859582730524906 0.12519961875002394 -2.0859582730524906 -3.1511237301148967" pbc="F F F" Pd 0.01370195 0.02294376 0.02610033 0.80515263 0.79909478 0.78123394 Pd 1.90011194 1.90779834 0.00363649 -0.36563251 -0.35315864 -0.30601204 Pd 1.84867967 0.02015666 1.91646216 -0.15162561 -0.18875790 -0.24876651 Pd 0.02145934 1.92282646 1.88866805 -0.22893107 -0.40666505 -0.20722448 Pd 3.71253403 0.02711966 -0.01902554 0.06932616 0.42760527 0.53624355 Pd 5.65066504 1.90427656 -0.01198502 0.03929191 -0.37828352 -0.40520894 Pd 5.70511115 0.02797877 1.85480230 -0.14425369 -0.52132806 -0.22598140 Pd 3.77965555 1.86094523 1.86428754 -0.07651485 -0.49454459 -0.31936026 Pd 7.50970473 0.01759050 -0.02325437 0.28136379 0.66307787 0.59469746 Pd 9.42225830 1.92265807 -0.01904817 -0.57296244 -0.23383497 0.64499397 Pd 9.44811914 0.03405105 1.90952184 -0.71880979 0.57156349 -0.23058107 Pd 7.56971979 1.86430572 1.86224605 0.45975106 -0.38140404 -0.40996254 Pd 0.03026395 3.79448119 0.00442425 0.39509726 -0.01766630 0.46670223 Pd 1.85847063 5.69917489 0.02350769 -0.17697575 -0.14335713 -0.61919274 Pd 1.91712282 3.77358778 1.85042843 -0.55215647 -0.01047143 -0.38272054 Pd 0.02259039 5.72237836 1.89086488 -0.60979631 -0.25593506 -0.38549760 Pd 3.79402564 3.76525807 -0.01276563 -0.05057730 0.15701806 -0.40610200 Pd 5.65017738 5.67884365 -0.00076071 0.18225538 -0.21896374 -0.37343956 Pd 5.66926971 3.74062679 1.91633873 -0.12184095 0.25561137 -0.83887308 Pd 3.76421823 5.69237937 1.88440562 0.22106212 -0.43848469 -0.48331947 Pd 7.55058974 3.73019367 -0.01813771 0.16236158 0.16654130 -0.25616233 Pd 9.39540414 5.63336841 -0.00897556 -0.45463719 0.09818961 0.48141334 Pd 9.45754823 3.77152905 1.87630902 0.32343850 -0.05472076 -0.29277092 Pd 7.56912434 5.62591550 1.88142674 0.23109840 0.26199534 -0.56216937 Pd -0.01015686 7.57534083 -0.02676537 0.74975181 0.19599042 0.76256453 Pd 1.90567971 9.45834741 -0.00975826 -0.11253646 -0.84438357 0.84007725 Pd 1.89209831 7.51104631 1.88935328 -0.46534901 1.06135306 -0.57659297 Pd 0.00241819 9.43846236 1.91088477 0.69310074 -0.71117474 -0.28234827 Pd 3.76659396 7.51500564 -0.01085401 -0.11632678 0.57967805 -0.36554311 Pd 5.60821764 9.41487288 -0.01714669 0.04529107 -0.44688754 0.53238886 Pd 5.64385541 7.56127993 1.86706607 0.11318431 0.36877818 -0.31420624 Pd 3.76781349 9.46058287 1.90950937 -0.16802257 0.18085546 -0.53386315 Pd 7.51640461 7.55132789 0.03228382 0.43912356 0.29960581 -0.25073248 Pd 9.44373321 9.44003439 -0.03000005 -0.87367672 -0.86020642 0.90870020 Pd 9.42912694 7.57537377 1.88937010 0.15541720 0.11087809 -0.34734161 Pd 7.54226090 9.45085695 1.87972263 0.22115407 0.23619346 -0.38984223 Pd -0.02548435 -0.01739086 3.78982282 0.58095141 0.61693730 -0.11137359 Pd 1.92228511 1.90251045 3.79464996 -0.78221702 -0.79486795 -0.32528911 Pd 1.83657487 0.02031662 5.69398261 0.09204649 -0.59652737 -0.17017735 Pd 0.01536942 1.83296830 5.67116023 -0.58234143 0.11965600 -0.14517846 Pd 3.80082508 -0.01212650 3.78370863 -0.16134562 -0.43966681 -0.14022341 Pd 5.68746700 1.86096443 3.74087469 -0.14285725 -0.31780687 0.31485275 Pd 5.62656568 0.02398186 5.70529769 0.10674105 -0.66575764 -0.17116224 Pd 3.76330917 1.86986990 5.64243282 0.23177683 -0.30993052 0.22761849 Pd 7.55599739 -0.00031505 3.83152251 0.30501686 -0.31541149 -0.13468833 Pd 9.43162473 1.88265380 3.73262326 0.26591323 -0.30984184 0.27336419 Pd 9.42692364 -0.02113514 5.72009371 -0.51183672 0.60401187 -0.07642550 Pd 7.51658817 1.89296474 5.68404533 0.78328341 -0.43061490 -0.28391381 Pd 0.03528598 3.77441619 3.74894934 -0.64281257 -0.12214605 0.06346073 Pd 1.86934439 5.61101929 3.75949595 -0.24208769 0.34857517 0.22753669 Pd 1.90963992 3.75673207 5.64200186 -0.66819407 0.11624530 0.15244003 Pd 0.00339835 5.62852778 5.69583691 -0.41884174 0.19115303 -0.14523749 Pd 3.74813371 3.74397513 3.73403089 0.47716685 0.24484948 0.27083112 Pd 5.66404428 5.65995150 3.77751227 -0.13522386 -0.07015845 -0.33434529 Pd 5.68676847 3.79651503 5.68896742 -0.42153841 -0.36478109 -0.47274347 Pd 3.79120662 5.68375502 5.68748458 -0.19468591 -0.21827284 -0.62711565 Pd 7.53657155 3.76455279 3.72613485 0.54672441 -0.23600582 0.30002386 Pd 9.39510439 5.64136954 3.80956090 0.63792474 0.18734277 -0.27864792 Pd 9.43168558 3.76366859 5.62446574 0.36301850 -0.17276482 0.15496941 Pd 7.51179452 5.64939053 5.62891454 0.76029441 0.08397565 0.17077936 Pd 0.02305087 7.55587711 3.75566832 -0.38714410 0.22962751 0.22485484 Pd 1.87087569 9.43840483 3.73159566 -0.15137825 0.25017177 0.22232565 Pd 1.89791108 7.52397594 5.66418369 -0.56796092 0.56267703 -0.09626759 Pd -0.01251372 9.41226219 5.65072155 0.59738590 -0.51929094 0.01136042 Pd 3.76062698 7.51969423 3.74472244 -0.03069256 0.76805793 0.35977997 Pd 5.62553316 9.46151402 3.72877288 0.06837069 0.32628319 0.24645498 Pd 5.68727407 7.53193302 5.62688470 -0.20231795 0.96005647 0.00356829 Pd 3.73793343 9.46736262 5.69528858 0.15242768 0.10084119 -0.15898339 Pd 7.53236960 7.56154859 3.71943308 0.46272122 0.47220979 0.08894069 Pd 9.42289824 9.46337439 3.72714173 -0.50793863 -0.51186071 0.05205714 Pd 9.39384267 7.56283194 5.62841211 0.33289773 0.28958946 0.06831073 Pd 7.53816952 9.45874384 5.62751033 0.30858055 0.20274361 -0.01373136 Pd 0.02469930 0.01520545 7.57414926 0.46204660 0.47207515 0.22833978 Pd 1.85450312 1.90712030 7.51159672 -0.16534041 -0.42361904 0.87253948 Pd 1.90663537 -0.00326202 9.44689362 -0.13622005 0.68114490 -0.68918915 Pd 0.02862215 1.86257369 9.46016183 0.72722386 0.01738009 -0.71584815 Pd 3.78462537 -0.00253024 7.57931704 -0.22110090 -0.24399192 0.22043581 Pd 5.66033863 1.89953526 7.54059222 -0.22450864 -0.42883345 0.70735519 Pd 5.66538546 0.00283504 9.43607457 0.02126624 0.54648103 -0.50313112 Pd 3.73681954 1.87664971 9.42989263 0.07594262 -0.21046370 0.21314995 Pd 7.51057668 0.00373232 7.52216493 0.42608785 -0.20814471 0.51513904 Pd 9.43242715 1.87322013 7.54251579 0.08264463 -0.26493996 0.26365008 Pd 9.44597989 -0.01137479 9.41736916 -0.90144666 0.89246486 -0.88193510 Pd 7.53320172 1.89850473 9.45471361 0.24017761 -0.42614708 0.02044841 Pd -0.02428731 3.79376051 7.55017480 -0.17685031 -0.21421014 0.36698689 Pd 1.92222378 5.62216596 7.54371274 -0.97357257 0.32721603 0.48021525 Pd 1.91585371 3.78032543 9.43413547 -0.49739365 -0.07580616 0.32840989 Pd -0.01619267 5.66683164 9.42220136 0.59252436 0.02365743 -0.56555019 Pd 3.75272867 3.80076986 7.52045639 0.19508460 -0.58870466 0.54092911 Pd 5.63179295 5.68544318 7.53410368 0.52562467 -0.08177885 0.56484149 Pd 5.63946862 3.78359554 9.40622014 0.06509052 -0.16404501 0.53962557 Pd 3.80735426 5.66835571 9.39368654 -0.13816756 0.08724641 0.87813211 Pd 7.53115637 3.76756385 7.53198873 0.59988564 -0.00035355 0.59426356 Pd 9.39498105 5.62228156 7.53665091 0.44149224 0.15264836 0.24669654 Pd 9.39859855 3.70157758 9.42216466 -0.39594889 0.10574817 -0.42768137 Pd 7.53827201 5.65003093 9.41468666 0.32535545 0.04029276 0.38533487 Pd -0.02146667 7.53957551 7.53397003 -0.01906494 0.22448524 0.32522870 Pd 1.87702810 9.40214047 7.54965389 -0.30661567 0.19722697 0.28277804 Pd 1.89402828 7.53327922 9.40196064 -0.36330729 0.25621510 0.22168984 Pd 0.01815677 9.44637672 9.46151742 0.83364644 -0.89980513 -0.89162020 Pd 3.78867525 7.51194096 7.54001088 -0.05818125 1.04466996 0.40074962 Pd 5.71929920 9.40702441 7.54079880 -0.14748129 0.34723356 0.18851256 Pd 5.70367239 7.57122467 9.42975800 -0.00472555 0.19712943 0.38451687 Pd 3.80708936 9.40194700 9.41088416 -0.07265797 -0.46669800 -0.52768201 Pd 7.55392250 7.51498864 7.52053012 0.63297689 0.65321285 0.57289453 Pd 9.42906809 9.42776021 7.52921101 -0.77693343 -0.76902054 0.16444380 Pd 9.45407405 7.51462228 9.46465351 -0.84936264 0.15206723 -0.88044956 Pd 7.56355310 9.41968629 9.43556004 0.23338615 -0.70513345 -0.70744595