108 Lattice="11.37055404422814 0.0 0.0 0.0 11.37055404422814 0.0 0.0 0.0 11.37055404422814" Properties=species:S:1:pos:R:3:forces:R:3 energy=-337.0044443558492 stress="-0.0077242230787331 0.000515234689194206 -5.805118636212832e-05 0.000515234689194206 -0.00790035828854911 -0.0012243634204005132 -5.805118636212832e-05 -0.0012243634204005132 -0.008023769199945937" pbc="F F F" Pd 0.03339634 0.00855667 0.00897804 0.54028559 0.63333089 0.55739150 Pd 1.92617650 1.92235046 0.03549927 -0.12604540 -0.18482451 -0.56555698 Pd 1.88187466 0.03639688 1.88685708 0.14652985 -0.50679591 0.08137007 Pd 0.03515177 1.90338085 1.93115114 -0.54988710 -0.09816868 -0.37984383 Pd 3.80921910 0.00748021 0.03634145 -0.16247893 0.33824670 0.18819919 Pd 5.72225871 1.88948084 0.03208191 -0.31425076 -0.20659137 -0.69693921 Pd 5.66038993 0.00374594 1.88043675 0.30365385 -0.32632812 0.12882558 Pd 3.77796539 1.92092377 1.92952203 0.29718585 -0.60306565 -0.55098358 Pd 7.57689093 0.02975674 0.00945332 0.06001926 0.25522436 0.39579125 Pd 9.48289470 1.87861740 0.02815672 -0.45284769 0.21218351 0.31052576 Pd 9.49734353 0.01738709 1.86080279 -0.58456915 0.41656948 0.24363909 Pd 7.57505573 1.91638377 1.88767413 0.45292329 -0.46778302 0.15772132 Pd 0.04870122 3.82168494 0.02794100 0.06624125 -0.20215268 0.19142997 Pd 1.91451976 5.66034939 0.00659406 -0.09129140 0.20241960 -0.39873564 Pd 1.91436810 3.76992036 1.89675584 -0.38020009 0.39141249 -0.23178721 Pd 0.01370357 5.69373715 1.90410877 -0.41811093 -0.21031747 -0.07552626 Pd 3.84710196 3.80941758 0.02555406 -0.24453273 -0.23572210 -0.68234608 Pd 5.65535230 5.74287104 0.01819180 0.22947881 -0.24676456 -0.75296935 Pd 5.70560826 3.74248100 1.88431447 -0.15446621 0.56034723 0.24214973 Pd 3.80293402 5.69434091 1.88100289 -0.13207947 -0.05017863 0.20467264 Pd 7.55042026 3.79547415 0.00734716 0.49667766 0.10887966 -0.44942409 Pd 9.47967755 5.70069255 0.00265354 -0.42590356 -0.12906996 0.50873971 Pd 9.50351941 3.75813927 1.92774592 0.19526413 0.16491044 -0.51005279 Pd 7.54950909 5.65493046 1.90799747 0.49970672 0.22002274 -0.50908791 Pd 0.00141606 7.53589273 0.02553820 0.53324138 0.17915735 0.39004078 Pd 1.91051663 9.49265808 0.03709525 -0.26769784 -0.41571645 0.44188897 Pd 1.89296521 7.56092824 1.91369796 -0.15350490 0.15064423 -0.33125476 Pd 0.00969659 9.44366227 1.93838316 0.34207810 -0.36314643 -0.19360451 Pd 3.73174098 7.62179041 0.01203279 0.14989903 -0.05651311 -0.56871036 Pd 5.66673025 9.50652248 0.03529717 0.14237427 -0.38500756 0.15907292 Pd 5.67214296 7.57175964 1.85671379 0.11137780 0.45124328 0.37704416 Pd 3.80163611 9.46005907 1.89210352 -0.19888882 0.47138915 0.00381102 Pd 7.58438409 7.56168548 0.03755988 0.25471768 0.32202217 -0.28819795 Pd 9.46163419 9.51187717 0.00420584 -0.64945647 -0.75948034 0.70301735 Pd 9.50809499 7.55682310 1.92226905 -0.07895050 0.35003157 -0.29496855 Pd 7.56675056 9.48974147 1.88536522 0.33123941 -0.00796452 0.07587647 Pd 0.00437750 0.01637609 3.78380864 0.37173590 0.27732946 0.08032028 Pd 1.92427592 1.91049831 3.78552095 -0.48863688 -0.54520793 0.38453802 Pd 1.89704894 0.00253614 5.71736899 -0.09298532 -0.46877066 -0.45273631 Pd 0.00111749 1.90400720 5.67472932 -0.30452171 -0.19532179 -0.01166924 Pd 3.82210428 0.01665179 3.80008955 -0.32457431 -0.60178585 -0.12872753 Pd 5.69703203 1.90684666 3.80810546 0.12004641 -0.23625467 -0.22467983 Pd 5.68890357 0.01880527 5.68119494 0.10895950 -0.67458425 0.11983803 Pd 3.78558908 1.87580934 5.69985554 -0.06157408 0.02294901 -0.24742796 Pd 7.56068259 0.01404223 3.80297170 0.33635002 -0.37033983 -0.30786395 Pd 9.47012326 1.89794116 3.77546874 0.32024398 -0.27322954 0.07387273 Pd 9.47369884 0.02847629 5.70861400 -0.21042568 0.18832515 -0.09788554 Pd 7.60054928 1.88320526 5.70034692 0.12983027 0.07600882 -0.07492075 Pd 0.00650984 3.75427351 3.80107886 -0.52500668 0.24542215 -0.03479505 Pd 1.88230265 5.64208643 3.80791204 -0.12795445 0.22804693 -0.47241856 Pd 1.91124717 3.81411607 5.70867788 -0.50476149 -0.45841602 -0.14879292 Pd 0.02537975 5.72163327 5.68261407 -0.83592110 -0.36125866 0.20549492 Pd 3.75536375 3.77395782 3.76915987 0.53147216 0.31046638 0.17499931 Pd 5.71154384 5.70440378 3.81123272 -0.57934540 -0.23340400 -0.44381767 Pd 5.66483402 3.79064990 5.64530008 0.35246449 -0.03327419 0.43947192 Pd 3.76523767 5.66197771 5.68730495 0.33134115 0.30939895 -0.17910176 Pd 7.59870935 3.82468217 3.81293714 -0.04457196 -0.53987027 -0.24269176 Pd 9.45342875 5.67814329 3.74477466 0.73086831 0.21688064 0.26158405 Pd 9.44166599 3.81870490 5.66543714 0.73156931 -0.26797421 0.23935946 Pd 7.57373748 5.71975048 5.68406781 0.39881859 -0.35050682 0.44562770 Pd 0.00229575 7.55049609 3.77579906 -0.50553544 0.25117313 -0.02454336 Pd 1.91701686 9.44715885 3.76075913 -0.20097921 0.55528391 0.17340068 Pd 1.86755968 7.54455982 5.66069065 0.18302946 0.75403972 0.33417589 Pd 0.02111297 9.44406086 5.65046633 0.33170810 -0.27459465 0.16379171 Pd 3.75419669 7.55530110 3.81510170 0.48874549 0.22598818 -0.30185906 Pd 5.66606925 9.51218442 3.73580703 0.23818951 0.05428087 0.25086832 Pd 5.71733815 7.56147666 5.68986159 -0.32515255 0.57040439 -0.09634421 Pd 3.81847576 9.45322588 5.65992458 -0.19061357 0.40748989 0.17036934 Pd 7.56038167 7.55219446 3.78957743 0.32896184 0.79453477 -0.48721374 Pd 9.49032614 9.44924633 3.81598684 -0.41888895 -0.22958599 -0.30084644 Pd 9.44775446 7.61318626 5.66983264 0.55909907 -0.21278711 0.19373469 Pd 7.59252512 9.45650637 5.68212834 -0.14347610 0.50243062 -0.13090429 Pd 0.03159779 0.02202918 7.53117401 0.21408008 0.24581824 0.22067734 Pd 1.90734393 1.88075387 7.55456016 -0.13809358 -0.04143133 0.61560626 Pd 1.88206723 0.02038922 9.49839702 0.21007408 0.42617069 -0.59740991 Pd 0.02291527 1.86063499 9.44725377 0.35952182 0.19352727 -0.39170272 Pd 3.79862858 0.00993867 7.55624846 -0.05776120 -0.45967913 0.53862796 Pd 5.67580506 1.91092410 7.55191963 0.16184928 -0.21239451 0.58210529 Pd 5.66227422 0.00265822 9.48751419 0.14079321 0.41839122 -0.48424429 Pd 3.80851829 1.90222482 9.50492016 -0.09930317 -0.13874280 0.06213104 Pd 7.57682629 0.01232683 7.56203916 0.03001677 -0.38416461 0.32324105 Pd 9.49235999 1.87296124 7.61036374 0.39459068 0.12741573 -0.18106774 Pd 9.51099999 0.02849651 9.47317155 -0.60426461 0.45979985 -0.55697321 Pd 7.60527393 1.87454206 9.44468490 -0.21870653 -0.11078162 0.45128378 Pd 0.03312690 3.76516697 7.55565811 -0.37364017 0.19044235 0.37072747 Pd 1.92323774 5.71871269 7.57357970 -0.49131004 -0.28850624 0.61494136 Pd 1.91839403 3.76995720 9.49270194 -0.27185945 -0.06435900 0.12099325 Pd 0.02355191 5.65191945 9.49030058 0.41573120 0.08134184 -0.46292260 Pd 3.77231747 3.78154394 7.54870219 0.15833735 -0.17918829 0.67402109 Pd 5.65935661 5.68268164 7.56334848 0.60914900 -0.32358826 0.30622714 Pd 5.70696741 3.80534664 9.47017688 0.18129070 -0.23874696 0.34692560 Pd 3.81628113 5.62339414 9.47205194 -0.24174120 0.31216055 0.54447581 Pd 7.61347285 3.75312373 7.59436833 -0.14315829 0.49059906 -0.00499545 Pd 9.49150136 5.68882454 7.55448251 0.22604502 0.08800433 0.30275073 Pd 9.46556350 3.77889679 9.48077475 -0.22290343 0.05341723 -0.29480246 Pd 7.62090106 5.70980446 9.49971297 -0.06720921 -0.16774489 0.08983871 Pd 0.03605112 7.57642168 7.59830452 -0.27350906 0.23814667 0.22084035 Pd 1.93971714 9.47142760 7.57508488 -0.23225057 -0.00220851 0.08671537 Pd 1.93178916 7.55631224 9.49579580 -0.13554968 0.17493386 0.13100846 Pd 0.00491545 9.46496030 9.50553825 0.77746020 -0.68556979 -0.70740781 Pd 3.81479434 7.54794411 7.56590332 -0.31136238 0.69957483 0.29544634 Pd 5.70997185 9.46628513 7.54918420 -0.27107320 0.37334991 0.29183746 Pd 5.67461934 7.55288588 9.44702831 -0.00038654 0.28590992 0.53092407 Pd 3.76789729 9.48419584 9.50824358 0.15279292 -0.50112287 -0.56565525 Pd 7.58024190 7.56883611 7.60785755 0.35275169 0.19408098 0.07686457 Pd 9.44451298 9.50935047 7.55265048 -0.42169091 -0.55210825 0.17418787 Pd 9.47679193 7.58412031 9.48426207 -0.46115957 0.13036710 -0.58736291 Pd 7.53027856 9.48520666 9.44152286 0.17620812 -0.46884490 -0.32127959