64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-60.2668102238317 stress="0.00017928712517083613 -2.707419089541464e-06 -1.759626207018607e-06 -2.707419089541464e-06 0.00014257992650770662 -8.581397171618664e-05 -1.759626207018607e-06 -8.581397171618664e-05 0.00014350859161177182" pbc="F F F" Pd 34.79620590 35.20936573 34.97959309 0.75821361 0.48865322 1.26247902 H 35.81799019 35.56946515 36.47560887 -0.78281276 0.36656001 -0.83151599 H 37.35311580 37.67889531 35.11710779 0.75801437 0.52557983 1.07774623 Pd 38.83899104 38.51117710 36.32969111 0.00345142 -0.38505724 0.83609295 H 37.41489227 35.01654600 37.94479542 0.73924747 0.92618917 1.42008506 Pd 38.35744518 35.96361660 39.15330392 0.56842157 -3.03236430 -2.46757419 Pd 35.42712754 37.81278576 37.86047368 -0.59690111 -4.12412640 -1.92695112 Pd 35.85378625 38.96845944 38.37434930 2.01037064 5.18421181 1.91732829 Pd 40.34793362 34.86356045 34.98918047 -0.83118484 -0.27142386 -0.57038508 Pd 41.27000943 35.95578592 36.31637917 1.32802438 2.49859595 2.76664163 H 42.86227854 37.44883672 34.93888509 -3.71710222 -4.51338011 -4.01556733 H 43.61661188 38.44057059 36.03458290 2.64235780 4.19181669 5.10207074 H 42.83784691 35.95632826 37.37464005 -2.42719305 0.30882591 -3.22085570 H 43.53730258 36.08715790 39.11372212 -0.16537087 1.51525249 3.25555475 H 39.76240660 37.18254066 37.31531496 -0.79102354 -0.62698327 -1.20670978 H 40.83650163 38.74533723 38.13185091 2.06073281 0.99661904 -0.49633006 Pd 35.15131030 40.42903887 34.75881642 -1.55955152 -2.41761227 -1.52210396 Pd 36.04310740 41.33692648 35.77976704 5.06638901 1.33870969 1.30782244 H 37.08905584 42.57359302 35.09883655 -3.86600258 -2.61223089 -0.60583388 H 38.60135932 43.31164202 35.76964547 3.03359438 1.07245674 1.69115437 H 37.08519425 40.17291593 37.07768462 -0.11034304 0.41859705 0.18060101 Pd 37.92228995 41.56577595 38.32771450 0.22811839 -1.72784895 -2.15987898 Pd 35.00154562 42.18259989 37.20343381 -0.16805680 0.39643421 2.57159868 Pd 36.95695181 44.07526918 39.21543266 -0.14427260 0.13696229 -0.34123461 H 39.83112972 40.04163954 35.01304562 -1.15658444 -1.37593294 0.02150423 H 40.83004603 41.17291825 36.36138709 2.91911486 -3.67811623 -1.48131198 H 42.64290008 42.78832846 34.94629530 0.19844960 0.48280429 0.91366627 Pd 43.54388832 44.14534354 36.21085705 -0.72777178 -0.94964530 -0.18811359 Pd 42.25522559 40.15554862 37.82497863 -1.67470721 -0.20481561 0.12390292 H 43.85299683 41.71005715 39.19404549 1.94922523 -3.49767554 -2.02104197 H 40.23166904 42.44237275 37.36531311 -1.82499153 3.70049617 3.60119739 Pd 41.73303149 44.08737120 38.85231780 0.27705261 -1.88014116 0.81374672 Pd 35.37283489 35.02776773 39.73968927 1.04857313 1.19537624 -0.08911751 H 35.72453201 35.57592067 41.02019000 -0.03386688 0.67984333 0.29379146 Pd 37.92311431 37.55253863 40.00066107 -1.61778905 1.88730109 -0.17007374 Pd 38.64915832 38.67410853 41.55607962 0.90836620 1.99032935 2.18415793 H 38.02899377 35.61882522 42.29273725 -1.39920834 -2.35566027 -3.84853647 H 38.58926597 36.69742274 43.56631424 1.49643151 3.22659589 2.84701805 Pd 35.14954043 36.81071283 42.47986859 1.29728291 -0.32824031 -1.55833572 Pd 36.25641920 39.15944301 44.21070628 0.92051054 0.58371156 -1.38366275 H 40.25238673 34.83193849 40.70344678 0.78855621 1.44980867 0.33232801 Pd 41.66557061 36.01646424 41.17472124 -2.06167720 -0.21383778 1.16297807 Pd 42.57507609 37.58412450 39.74070894 0.05863965 0.05507185 -0.78439922 H 44.03486626 38.87198112 40.84937618 -1.02157409 -0.42438260 -0.46574821 H 42.01994484 34.92942381 42.96435681 -1.67074702 -0.08415583 -2.34332494 H 43.25374871 35.85761187 44.15069931 1.00671276 1.11234745 0.92559376 H 40.62875505 37.24770743 42.23780464 0.57818694 -0.10705986 -0.50288849 Pd 41.21166511 38.77768973 43.83041964 0.04667787 0.42072648 -1.96653517 H 34.94645137 40.36060125 39.59921688 0.84256290 -0.27189822 -0.56943076 Pd 36.13898356 41.62832058 41.66221134 1.94851493 -5.19898428 -0.07974099 Pd 37.48578387 42.34264210 40.29701372 2.84170273 0.51550949 0.85835600 H 38.91023841 43.75644525 40.86533629 -0.75537536 -0.90201629 -0.40639014 H 37.83603013 40.00514525 42.67417196 0.25997048 0.25374889 0.03180207 Pd 38.24360477 41.69758804 43.52778404 0.16040410 -1.05405968 -1.64389471 Pd 35.13423686 42.62245546 42.17282920 -3.65968495 2.20336658 0.18963479 Pd 35.95925024 43.81189841 43.57669840 1.45945573 0.38280158 0.69324315 H 39.57683866 39.67605562 39.53916316 -0.92092996 0.23681707 0.89118828 Pd 41.27580437 41.33973747 41.66945808 0.94083968 -1.19797446 -1.12482291 H 42.89404161 42.95661874 39.96959328 -3.12497066 4.04727930 2.68180276 Pd 43.50512234 43.33435622 41.37133246 -1.37983225 -1.08651966 -1.22321651 H 42.69518869 40.17924184 43.06110083 -0.57180937 0.77015716 0.36750776 Pd 43.34845996 41.39534720 43.95357008 -1.52476418 -0.81866723 -1.55370490 H 40.69445181 42.06501987 42.60783629 -0.84221975 1.56889036 1.67057241 Pd 40.80794187 43.83901493 43.57807814 -0.01584744 -1.78763634 -1.22393584