108 Lattice="10.238450134048632 0.0 0.0 0.0 10.238450134048632 0.0 0.0 0.0 10.238450134048632" Properties=species:S:1:pos:R:3:forces:R:3 energy=-202.46241198095333 stress="5.196357871993598 12.13396592332559 -8.670924646942444 12.13396592332559 -5.476867593927274 -6.455791161200587 -8.670924646942444 -6.455791161200587 -5.49665967874051" pbc="F F F" Pd 0.02634618 -0.00044079 -0.00418891 0.52329299 0.83362555 -0.12863679 H 1.67775974 1.72056280 0.01583878 -0.89474315 -0.41201771 0.78294623 Pd 1.70746623 0.00500277 1.68072562 -0.54681165 -1.66606331 -1.54056307 Pd -0.01778111 1.73162756 1.70305084 -0.61393118 -0.11030682 -0.72389430 H 3.43087206 -0.02390500 0.00368008 -0.05637136 0.36427549 1.10897898 H 5.16554278 1.65334418 -0.03362515 -0.31276756 -0.15450984 0.57304969 Pd 5.13356225 -0.02259603 1.73506008 2.22885242 -0.33886004 -1.90554379 Pd 3.39664234 1.73224040 1.70365053 0.09646633 1.94055580 -5.69864350 H 6.79763037 0.01760140 -0.00793881 0.14492737 0.44738984 0.52549641 Pd 8.51237432 1.70983770 -0.01277043 -2.02557056 0.59569462 1.97528737 H 8.51060847 0.00300041 1.73809310 0.01641030 0.46696892 -0.46174305 H 6.83667640 1.67954727 1.75943830 -0.39027861 0.02250041 -0.16045793 Pd -0.02143808 3.45467353 -0.02149239 1.82965275 -0.16344147 0.23574533 H 1.68119343 5.10251863 0.01799733 -0.97845016 0.69994220 0.51043790 H 1.69430540 3.35613033 1.74549233 -0.83247562 -0.48449003 0.27677477 Pd 0.00262005 5.10090232 1.68342771 0.61789082 0.08481393 0.64726636 H 3.44315891 3.43384824 0.00116741 0.29300727 0.04672912 0.00277652 Pd 5.07769234 5.08760792 0.00683188 0.23806427 -1.89530440 -0.24820705 H 5.07438543 3.38602208 1.66492797 0.11620830 -0.07654028 0.35324482 H 3.40404849 5.15302664 1.71812125 0.16749327 1.00543388 -0.45518955 H 6.83321481 3.41895043 0.03641691 0.53289515 0.59258720 0.02526467 Pd 8.49927499 5.10037414 -0.00016181 -0.87452132 -0.77952953 -0.02786119 H 8.52999908 3.41106809 1.70394390 -0.37976696 0.59639510 -0.30877577 Pd 6.85905167 5.14067084 1.72051273 -1.06221996 -2.63829589 -2.54916378 Pd 0.02014484 6.85985653 -0.00549021 0.87339971 0.40606004 0.14548345 H 1.69176893 8.54599304 -0.00503847 -0.06478169 -1.32506300 0.40132373 Pd 1.67852519 6.85829133 1.70291480 -0.34297303 -0.13144826 -0.39051745 H -0.01666082 8.53584964 1.76007655 0.91893428 -0.78829207 -0.04934663 Pd 3.40922702 6.83592813 -0.00675760 -1.83408527 0.15621938 -0.39021592 Pd 5.13121503 8.52439804 0.02623627 0.10740320 -0.26233241 0.13602702 Pd 5.12722415 6.79847500 1.76537884 -1.46181275 0.50017031 -0.19817966 H 3.41916977 8.56231519 1.69718527 -0.03747359 -1.08516218 -0.11634617 H 6.84053805 6.85057108 -0.00620820 -0.38640468 -0.37046404 1.09774659 H 8.50326704 8.55730333 -0.01654077 -0.45561109 -0.42623665 0.85861655 Pd 8.54993408 6.80909058 1.72699301 2.09402105 2.17414466 -1.74702259 Pd 6.82480170 8.50842638 1.73837244 0.83234678 1.69535026 -0.60045789 H -0.02801006 0.00922356 3.38878458 0.94960191 0.64137281 -0.44151079 Pd 1.71523414 1.71489047 3.40721803 -2.38510792 -0.55049656 1.05926907 Pd 1.71845728 -0.01465974 5.11457520 -1.30881810 -0.94289166 -0.54727318 H 0.01982246 1.69977728 5.16717721 0.96893890 -0.22780563 0.24117758 Pd 3.38825679 0.02346483 3.38485270 1.13691439 -2.88508852 2.32348449 Pd 5.13579493 1.69657335 3.41793475 1.59344142 -2.34534149 -0.62939940 H 5.11872804 -0.01630525 5.12894305 0.17737291 0.43032989 0.48596793 H 3.41687104 1.69329852 5.14821212 -0.51713043 -0.32399285 -0.11913589 H 6.79843966 -0.00543326 3.39764738 -0.25961326 0.31915073 0.33636956 H 8.50582474 1.73859365 3.41019336 -0.37688857 -0.17682420 0.80385922 Pd 8.49225303 -0.02897345 5.12880645 -0.26519535 0.78793998 -0.76857271 Pd 6.85392746 1.71086494 5.10513778 3.35976582 -2.20860080 -1.03267822 Pd -0.00350730 3.40337172 3.40527901 -1.11550263 0.13126795 -0.26291523 H 1.68252406 5.13031247 3.42006352 -0.40102195 -0.18286608 0.19311698 Pd 1.72654039 3.43763049 5.13074307 -0.92914510 -0.11969531 2.76565315 Pd 0.00320089 5.12212968 5.08680690 0.79368312 2.41357919 0.86898062 Pd 3.42290810 3.38324635 3.42011959 -0.29083222 2.94732604 -2.94741850 H 5.05423818 5.10865274 3.43097243 0.06357188 0.03992580 -0.15963198 Pd 5.11825595 3.38148905 5.11635189 -1.09347500 1.21114296 0.53809325 Pd 3.44024158 5.11969983 5.12765041 -1.53606559 1.79239797 0.11537335 Pd 6.79840343 3.45137723 3.41270491 1.87915551 -0.09101233 -1.57452718 Pd 8.53121435 5.12561726 3.42565532 2.59596706 -2.38616312 1.24871590 H 8.52138439 3.47371241 5.10424965 -0.45855540 0.32028613 0.11027770 H 6.84315751 5.15149826 5.13649354 0.69747462 0.30539723 0.43478245 H 0.01286869 6.87360624 3.40425946 0.57075152 -0.39223066 -0.29753566 Pd 1.67690405 8.51649454 3.38031315 -1.84395873 0.26330736 0.10243550 H 1.69436790 6.82840801 5.11566631 0.72882069 0.14800734 -0.25984533 H -0.00445328 8.54892102 5.16287845 0.40701774 -0.00907766 -0.42136568 Pd 3.43359772 6.82118388 3.43560482 0.43434140 -0.73701322 -0.49741395 H 5.12997234 8.52105094 3.42491374 0.00809579 -0.56373128 -0.40024838 H 5.10138360 6.81409108 5.11864958 -0.58814784 0.43153968 0.78978630 Pd 3.46819255 8.50163129 5.07708232 -0.08521161 1.16902867 0.06753490 Pd 6.85537241 6.84214990 3.39980667 -2.12531758 1.71806384 4.15529661 H 8.51032559 8.53174712 3.43342427 -0.71593802 -1.11252038 -0.42265001 Pd 8.53583225 6.80142044 5.10299738 0.58088566 1.91061683 0.37262213 H 6.81483082 8.55690424 5.14556180 -0.09412596 -0.80233774 0.52105616 Pd -0.00668474 -0.00016039 6.83014673 -0.47200141 0.82768467 -0.14287257 Pd 1.70403208 1.72008264 6.83718761 -0.27859992 2.70876177 1.66212665 Pd 1.67276139 -0.00795589 8.53496032 0.13590432 0.74101617 0.61110149 H 0.01538427 1.72774397 8.52764475 0.87346788 -0.95862665 -0.83880909 Pd 3.39010248 -0.02126568 6.84211383 1.03417498 -0.86603236 -0.53784856 Pd 5.14577140 1.68420018 6.81957795 -2.65815876 -0.92325890 0.75921704 Pd 5.12730596 0.02827082 8.51337258 -0.08103060 0.58398004 1.05232856 H 3.41459587 1.68051714 8.50969832 0.27183907 -0.96714106 -0.66575279 Pd 6.85094752 -0.00556516 6.84118480 1.06708603 -0.62008912 1.00038132 H 8.55318971 1.74872128 6.82868290 -0.80684298 -0.51582320 -0.82596773 H 8.52278711 -0.01755665 8.54991724 -0.52298399 0.06665765 -0.60348204 H 6.85898941 1.69805250 8.51589353 -1.22929827 -0.15524948 -0.78263923 H 0.04165184 3.40335676 6.82957487 0.44475689 0.02585292 -0.73259613 H 1.68111340 5.10550295 6.83222804 0.52600932 0.15408604 -0.61582556 H 1.76361800 3.39656125 8.51782410 0.30368466 0.06038151 -0.08116262 H 0.03799841 5.11610358 8.51788234 -0.00727522 0.04554000 0.03602603 H 3.42302947 3.39356438 6.81364142 0.37193209 0.42807207 0.10911318 Pd 5.10129961 5.09326909 6.83503485 1.48431719 1.73343998 0.62026148 Pd 5.13123435 3.41594804 8.52928158 -0.23998281 -1.36199800 2.18896716 Pd 3.40889233 5.13343351 8.54460826 -2.21172461 0.12813423 0.67490827 Pd 6.85082402 3.40053917 6.81847533 4.17810258 0.14304389 1.73174301 Pd 8.53611414 5.11467500 6.82114182 0.26286995 -0.78629092 0.74670995 H 8.52926641 3.42493191 8.55516718 -0.23870065 0.38716393 -0.74682895 H 6.86131864 5.11027681 8.49874567 -0.24566683 -0.24425649 -1.15008025 H -0.01861204 6.82500518 6.80638933 -0.09824314 -0.10621217 -0.01202048 H 1.71710802 8.51657443 6.85354182 0.76588070 -0.14137708 0.48531757 H 1.73263674 6.84081114 8.51036518 0.83972901 0.37977193 -0.15612595 Pd 0.02212396 8.55783532 8.54335003 1.44015117 -1.19535392 -1.20112835 Pd 3.40911493 6.86928442 6.86462358 -2.74424914 0.12789278 0.24869562 Pd 5.09529030 8.56022884 6.82798698 2.12273811 0.77439599 -0.00837181 H 5.13229606 6.77628506 8.55841235 -0.84285680 0.16124683 -1.07420853 Pd 3.43882949 8.49887394 8.49509356 -1.04827824 -0.49836774 0.52728418 Pd 6.79402297 6.85211151 6.83209189 0.26480304 1.13239082 1.09000177 H 8.52120471 8.55999846 6.82214557 -0.32891699 -0.77910957 -0.47904444 H 8.55722939 6.86564395 8.53455372 -0.36342546 -0.55011095 -0.77360696 H 6.82287804 8.51628298 8.50391847 -0.60517630 -0.38370534 -0.82324231