64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-60.498267023581654 stress="48.827140203502765 -0.44998934439799143 -0.21477818582412667 -0.44998934439799143 47.31034272043087 -0.4791792065362728 -0.21477818582412667 -0.4791792065362728 42.53516199380686" pbc="F F F" H 0.14646277 -0.22326935 -0.32910004 0.24692433 0.27292644 0.29943909 H 0.98203926 1.40131030 1.67903887 5.22911284 -1.03568679 -3.83424040 Pd 2.25881642 2.29310740 0.36600170 -1.41832146 -1.96292231 -0.10008640 Pd 3.27976704 3.33905584 1.73610883 0.90895880 -0.00900068 -0.62151094 Pd 2.46471096 -0.14864068 2.41529812 0.60087272 2.65300048 0.44731577 H 2.81552273 1.00979155 3.42723384 -0.09823976 -0.57871214 -0.81148860 H -0.26126569 1.78955405 2.81577595 -3.50953859 0.74965309 3.44432173 H 0.76626284 3.66445021 3.42191986 1.00644172 1.35831208 0.51395029 Pd 4.70343381 0.25952489 0.46111631 -0.67788079 0.59587367 0.93393079 Pd 6.68306596 1.08112972 1.29163954 0.55574640 1.73130534 -0.35155263 H 7.43171700 2.08004603 -0.07708175 -0.66384280 -0.55723294 1.49216355 Pd 8.86138709 3.86309354 1.53489687 -1.67434131 0.13955382 0.93531946 Pd 7.44629530 -0.26332249 2.89534354 -0.87749051 0.67734131 0.70405625 Pd 8.82023254 1.00522559 4.31782426 -1.02603503 0.66460975 -0.05149201 Pd 4.97975650 2.60299683 2.46836453 2.14626614 -2.05065840 0.92899488 Pd 6.60886605 3.98166904 3.69237275 -0.90932517 4.63168873 -3.56631554 H 0.03477930 4.83259144 0.24982226 0.48805185 -0.03081452 0.46098078 H 1.35231780 6.76154285 1.64134702 0.24505379 -0.11895817 0.25308613 Pd 2.41501309 7.31677778 -0.23082253 -0.35548494 -0.83585996 1.37520136 Pd 3.41422427 9.17311431 1.30253863 -0.21156398 -0.68573040 0.60386385 Pd 2.08347222 4.70872728 2.42410853 -2.81141049 2.67553851 1.64959720 H 4.05607962 6.60603343 4.00949199 -2.83936819 2.63485719 -1.65520364 Pd -0.20726275 7.59195629 3.11120309 2.53766932 -0.08963037 0.04979170 H 1.28531784 8.89954043 3.25169063 -0.46763105 -1.41074471 0.06363356 H 4.79676273 4.63417874 0.40944301 -0.12108207 -0.17687387 0.84749655 Pd 6.71070628 6.50238673 1.08193849 -0.32429075 -0.73694444 1.90283837 H 7.87229896 7.91557061 -0.42376478 -1.46805755 -1.70443548 -1.20887360 H 8.67472124 8.80114769 1.05504928 0.71845280 0.75264373 2.08532468 H 7.62774638 5.56014319 2.36071517 0.43396220 0.19596970 0.07203511 Pd 8.80349892 6.02301320 3.52622951 -2.17286277 -0.54442857 -0.48787390 H 5.46435681 6.68045251 2.10761187 1.06561896 -0.13223819 -0.83596401 H 6.68299326 9.13198677 3.90466505 -0.35438763 0.38444270 -0.51839669 H 0.16825865 -0.30951493 5.10727484 0.30423988 0.36448927 -0.17603563 H 1.53518653 1.19645137 6.44113505 1.82458370 -6.98588281 0.81470700 H 2.09921688 2.38898356 5.37832058 1.88684116 4.56816549 -3.79158060 H 4.54504139 3.80193095 6.62634396 -0.33103297 0.76346042 -0.10530979 Pd 3.27630286 0.02153045 7.56333318 -0.05168287 2.31093776 -0.05547120 H 3.35421160 1.42116535 8.59136491 -0.44424129 -1.05733453 -1.24276121 H 0.50035458 2.04220907 7.54259617 -2.53285690 3.17206954 3.48373918 Pd 1.07934805 3.88423686 8.87245546 -0.32113811 -0.65176923 -0.98366205 Pd 4.85593507 -0.29080520 5.06189841 -1.34024917 -0.28316929 -1.92235737 Pd 6.07669840 0.82683866 5.92605562 1.91824261 1.47681956 1.72645280 Pd 7.03916316 2.89804483 4.70270003 1.59731049 -3.52435801 3.32425295 Pd 9.16945808 3.86876467 7.18557338 -2.19494781 0.73877114 -0.34123147 H 7.46959328 -0.24487766 7.08435622 -0.86757265 0.79454218 -0.81324892 H 8.60489882 0.98944957 8.88614469 -0.15898498 0.22966800 -0.22559601 H 5.36812327 2.09845996 7.64534720 0.64302389 -1.08831825 -0.55733404 H 6.45357008 4.19138345 8.50058087 -3.06465785 -1.54437029 2.65249702 Pd 0.43113249 4.52564792 5.08901493 0.37128093 -2.33379046 -1.86987342 Pd 1.07807814 6.19562051 5.92420956 -0.65911506 0.04210712 1.91876088 Pd 2.38465067 7.34885626 4.96350480 2.91678953 1.72749025 -1.61573643 H 3.43270476 8.46830078 5.44802367 -0.59198159 -0.93744715 -0.15441459 Pd 2.52401744 5.20742288 7.84836566 1.46554041 1.70789378 -0.26506622 H 3.39981165 6.38356274 8.89201289 -0.49988683 -0.81106572 -1.31315413 Pd 0.30880315 7.99568208 7.33895030 -0.68302809 -1.56634993 -2.82749785 Pd 0.85241932 8.61974241 8.67148331 1.65307423 0.39874863 2.15454563 H 5.01068003 5.44742692 5.01270000 3.06010536 -2.03826885 2.75454908 Pd 6.11415287 5.95847981 6.33132863 0.35454756 -1.40920256 -1.13961188 H 7.36618599 7.50343158 4.99803505 0.29090421 -1.46099123 0.89763773 Pd 8.50124925 9.09522213 6.42100679 -0.97099811 -0.95075808 -0.29760306 H 7.58517944 4.83714014 7.32467618 2.58191955 0.79158192 -5.15415031 H 8.40775423 5.80674320 8.86709042 0.42882365 0.58574203 0.72503108 Pd 5.41718886 7.69043104 7.67296034 -2.16916345 -0.99737321 -1.07545010 Pd 6.60933324 8.66217446 8.67869982 1.38233350 0.51111791 0.45463018