108 Lattice="10.143052879532128 0.0 0.0 0.0 10.143052879532128 0.0 0.0 0.0 10.143052879532128" Properties=species:S:1:pos:R:3:forces:R:3 energy=-200.81209090748877 stress="2.8255511694053865 7.109704463809086 -9.083633865892132 7.109704463809086 4.590956394456228 -4.272999956588354 -9.083633865892132 -4.272999956588354 8.973558799037232" pbc="F F F" Pd 0.02399957 -0.02548167 0.02964409 -0.27284427 0.68313397 0.31768161 Pd 1.64015935 1.71775677 0.01846012 -0.14538267 0.72977390 0.49111262 Pd 1.66968133 0.01729172 1.68094104 0.17193230 0.84002813 2.79353492 H -0.01394876 1.67518527 1.66008778 0.80527343 -0.39230037 -1.37029318 Pd 3.39234053 -0.01030341 -0.00569136 -0.36268237 -0.11644216 -0.34965948 Pd 5.05002563 1.70235575 0.01736772 -1.18881021 0.87873159 -1.14043341 Pd 5.09842772 0.01096155 1.71797198 -1.35758947 -1.03445661 3.16698403 H 3.39861676 1.68763735 1.67654447 -0.29244507 -0.46511253 -1.45980746 Pd 6.75429276 -0.00914206 0.02547811 1.03972807 -0.26919760 -1.28708602 H 8.44361560 1.68519961 -0.00990847 -1.10796573 -0.08488921 1.13225058 Pd 8.44553446 0.03864432 1.68843699 0.09848284 -0.32808659 0.08927551 Pd 6.74225953 1.71604005 1.71116609 -0.95884003 -0.83705886 0.27837932 Pd 0.00100541 3.40187562 -0.02164993 1.09248351 0.74195995 1.79988316 H 1.67015442 5.06619538 -0.00596207 -0.61871891 -0.37785214 -0.22688902 H 1.72101952 3.40613670 1.72073551 0.05074072 -0.03932399 -0.60911827 H -0.01774772 5.09498284 1.72092197 0.22255210 0.06973741 -0.66328173 Pd 3.33620796 3.40172052 0.00299798 -0.16138029 1.85664232 1.52289522 H 5.07399409 5.11036768 0.00244430 0.57920327 0.11885518 -0.02280363 H 5.05687649 3.40509667 1.70588967 0.33161691 -0.29797585 -0.46819185 H 3.40558603 5.05581882 1.66137296 -0.02953575 -0.11585486 0.43483194 Pd 6.77052688 3.40981720 0.00241378 -0.09261484 2.12967372 -0.63997371 H 8.43564291 5.06850090 0.00727657 -0.78185977 -0.35408781 0.16660389 Pd 8.47693071 3.37944517 1.69860531 2.14934855 1.16490461 -2.64051151 H 6.81900097 5.11238385 1.68005235 -0.11888152 0.06029994 0.35019281 Pd 0.01830974 6.74960670 -0.02795624 1.50749370 -1.47953977 1.33182578 Pd 1.74403353 8.48364626 -0.02130358 0.36529334 -1.25860856 0.41016213 H 1.66787696 6.77302134 1.66074234 -0.59140757 1.01883702 -0.71085192 Pd -0.00120752 8.43834940 1.65777924 1.38572474 -1.30590901 1.25312310 H 3.39681508 6.76820551 0.00378635 -0.28517073 0.96829653 0.58410000 H 5.10170922 8.44853354 0.00592102 0.00960535 -0.82739387 0.75077491 Pd 5.05531224 6.72902917 1.66013475 -1.06991227 -0.91407933 -2.81825745 Pd 3.36631992 8.46943988 1.64665737 -1.32988932 -0.75719492 0.07868689 Pd 6.76705362 6.76170228 -0.01127391 0.17594728 -1.02392742 0.98190969 Pd 8.42416421 8.48563301 -0.01093471 -0.61737087 -0.51116826 1.35290531 H 8.48131282 6.72750380 1.70494031 -0.40751809 0.15410672 -0.10411671 H 6.77378708 8.43356946 1.70645082 -0.39266001 -0.88309626 -0.19923093 H 0.00298419 -0.03276689 3.36785057 0.95834820 0.06168161 -0.08582710 H 1.72344245 1.70488548 3.37454712 0.23563261 -0.53146648 0.20225473 Pd 1.68930881 -0.03112579 5.08194449 -2.11619071 0.64980229 -0.78623403 H -0.00416353 1.67761679 5.05775654 0.22037754 -0.36725034 -0.03562522 H 3.38223444 0.04225579 3.33799437 -0.21358668 -0.32057527 0.26539115 H 5.07443338 1.69967130 3.37236626 0.33691775 -0.02285287 0.45138879 Pd 5.05464218 0.00701720 5.03905857 1.24061967 -2.89438610 -2.35472613 Pd 3.37608122 1.70223022 5.05786182 -3.84703240 -1.28443099 -2.61007405 H 6.78762754 0.00140608 3.37636502 0.58334595 0.53109552 -0.02768420 Pd 8.43795804 1.71513946 3.39502297 3.03837591 -1.05307544 1.12337232 Pd 8.46609361 -0.02232258 5.05777533 -0.95103373 -0.08595537 0.64554734 Pd 6.75987000 1.67376379 5.07910688 2.45879820 -1.15571513 1.83675571 H -0.02477789 3.38595321 3.33599247 0.18677056 0.28767110 0.05580206 Pd 1.66922256 5.04629061 3.35755277 -3.22865115 0.63235851 -3.08085925 H 1.71416627 3.35666386 5.07052254 0.70041482 0.67962349 -0.20166158 H -0.00998319 5.12552753 5.03615845 0.85595987 0.15139754 0.10390152 Pd 3.38234301 3.38574932 3.35570850 -2.03395096 -3.47574589 -5.02007754 Pd 5.03824882 5.05780482 3.40975791 0.84487695 2.32351078 -2.30467312 Pd 5.08667324 3.35395956 5.05045602 3.13021763 0.05775759 0.21113743 Pd 3.37009773 5.07758049 5.06453231 -0.84284123 3.79913538 0.16229769 Pd 6.76200699 3.35546244 3.39514903 -0.60779425 1.65923831 -0.56039751 Pd 8.44070592 5.04807274 3.38983539 1.43728585 0.37617332 -0.12578895 H 8.43554801 3.36021271 5.04455423 -0.14465860 -0.31532483 -1.01942296 H 6.76438136 5.02964602 5.08211835 0.05875709 0.46014259 -0.73396212 H 0.02408791 6.76190091 3.41028736 0.54260779 0.10945102 -0.31066158 H 1.73966947 8.40131116 3.37171413 -0.18042727 0.03952844 -0.62120287 Pd 1.66066722 6.79497234 5.07441919 -1.42907685 2.93459007 -1.13911256 H 0.01369273 8.44949680 5.05257052 0.90474298 -0.34508802 0.49159535 H 3.38066915 6.77167759 3.39231347 0.11904058 -0.20716725 -0.47429650 Pd 5.09035643 8.44160272 3.35186633 -1.24776722 0.91087218 0.86561232 H 5.04144280 6.75259734 5.01792601 0.72643841 0.11535869 -0.46684700 H 3.39973989 8.45487715 5.02407906 -0.44177617 0.11482910 0.22598802 Pd 6.79180105 6.73733182 3.40333162 1.31680653 0.58477649 -1.65563082 H 8.44287941 8.42386795 3.36052241 -0.69811141 -0.71855754 0.96856323 Pd 8.45953287 6.73554913 5.07740411 0.15337363 0.06876819 2.64387069 Pd 6.73904699 8.43549117 5.06509381 -0.15989557 0.34162373 2.74827803 H -0.02394754 -0.00333747 6.74643471 0.97172960 0.48896073 0.48719959 H 1.70215064 1.71315636 6.73587287 0.64129965 -1.16741269 0.60864927 Pd 1.67675078 -0.02647503 8.46376933 -0.91187030 0.36534944 -0.96347955 Pd -0.01502060 1.70617787 8.48531410 1.68995941 0.98186871 -1.97991881 Pd 3.35093185 -0.00379768 6.76518814 -0.53699961 -2.58515189 1.57426076 Pd 5.04509269 1.71830161 6.75674934 3.45126959 -1.07383586 3.53939124 H 5.04449162 -0.02322742 8.46871086 -0.25174862 1.13147655 -0.60779972 Pd 3.40380176 1.69757957 8.42482059 -0.87984523 0.71305211 2.75562362 H 6.75432944 -0.02909855 6.73509918 -0.15588335 0.90288295 -0.74759469 H 8.47321746 1.71600148 6.72228944 -0.53538762 -0.60266918 -0.32482599 H 8.42354275 0.00305946 8.42854109 -0.58786302 0.62343419 -0.08065786 Pd 6.73293267 1.63664534 8.43875987 0.76597082 0.04702078 -1.01934343 H 0.00745991 3.36408992 6.77293522 -0.05960946 0.39533782 0.93181404 Pd 1.69145495 5.09573280 6.78688226 -3.39579588 0.23393686 0.82904390 H 1.69480128 3.37038337 8.45669551 -0.04561054 0.24406234 -0.25876216 Pd -0.03123949 5.07293782 8.43154206 1.08720919 -0.02652581 -0.87503114 Pd 3.40440307 3.40322740 6.74980818 -3.89344499 -1.81573447 2.56715940 Pd 5.04507677 5.05006243 6.73834265 4.03717205 2.69705535 -0.32152405 H 5.05913193 3.38507216 8.41801999 -0.09858290 -0.04261066 -0.33297469 Pd 3.41038310 5.11435693 8.43129391 -1.58794373 0.32778702 3.14649513 H 6.76463177 3.35575327 6.78187276 -0.57359452 -0.32317454 0.43402506 H 8.46809040 5.09031628 6.76743120 -0.21331666 0.51725058 -0.09065535 H 8.48440319 3.41118578 8.44305604 -0.86670731 0.00851933 0.05247596 Pd 6.74109159 5.04015556 8.44208659 1.97019824 -1.06332541 -0.70413820 H -0.01429107 6.77759937 6.76706180 1.00398908 -0.50686386 0.11374186 Pd 1.73435521 8.47316781 6.77490138 -0.40829478 -1.18156769 0.31932980 H 1.70741094 6.80527646 8.48458627 0.45210483 -0.21983933 -0.57736587 H 0.01788498 8.45434639 8.47066588 0.56259482 -0.03469807 -0.54642701 H 3.37439720 6.74591405 6.78149513 -0.49292589 -0.10940736 0.56060519 H 5.03896902 8.45595106 6.74160088 0.46127773 -0.02070962 0.93769453 Pd 5.08861003 6.73547134 8.48029258 0.33423367 2.15230986 -0.28824449 Pd 3.37267056 8.44359999 8.44335474 0.13728061 -1.33673159 -1.07717856 H 6.75126067 6.79177179 6.77765010 -0.29257165 0.09567911 0.47188318 H 8.42698743 8.41160276 6.73781437 -0.91127275 -0.37526610 -0.54776132 H 8.48587552 6.78391734 8.47084173 -0.95159332 -0.02607249 0.00481027 Pd 6.75132085 8.48096451 8.45822655 0.37571217 -1.26760652 -1.95411841