108 Lattice="11.405567176374921 0.0 0.0 0.0 11.405567176374921 0.0 0.0 0.0 11.405567176374921" Properties=species:S:1:pos:R:3:forces:R:3 energy=-381.7537379944646 stress="-2.9195746480112303 0.4640740684415814 -0.3795008430242355 0.4640740684415814 -2.3103010888433673 -0.5415734179852905 -0.3795008430242355 -0.5415734179852905 -2.90947683952143" pbc="F F F" Pd 0.00843919 0.02235572 -0.00833589 0.81106204 0.79526022 0.83931817 Pd 1.88121166 1.90066145 0.02757754 -0.31113190 -0.49248072 -0.20607239 Pd 1.89749275 -0.01946415 1.93269927 -0.44684699 -0.23333660 -0.62544489 Pd 0.01270136 1.89069101 1.90328005 -0.29707271 -0.37223014 -0.28474743 Pd 3.81342231 -0.01977214 -0.02079810 -0.13401264 0.32729887 0.37388802 Pd 5.66526214 1.87683615 0.00827764 0.32110860 -0.20356862 -0.40633683 Pd 5.69618889 -0.03507510 1.87987213 0.16512962 -0.26765425 -0.17903095 Pd 3.81935814 1.83038526 1.88616969 -0.36287962 0.26619088 -0.26549855 Pd 7.61802797 0.02981468 0.02660532 0.27116078 0.47903212 0.46504858 Pd 9.49662361 1.92842532 -0.03659149 -0.54515176 -0.29734400 0.72212169 Pd 9.49411865 -0.02199376 1.88669134 -0.64572059 0.77282116 -0.14300018 Pd 7.58292311 1.92072297 1.93433233 0.65859570 -0.45536017 -0.54241086 Pd 0.01757567 3.83901095 0.03719191 0.21645200 -0.12786034 0.10783265 Pd 1.92758380 5.73415849 -0.00457678 -0.39516972 -0.27467506 -0.31746920 Pd 1.86785508 3.83644038 1.91665941 0.14444015 -0.30409401 -0.31738706 Pd -0.00503967 5.69594458 1.88584940 -0.43740828 0.07918368 -0.10628641 Pd 3.77168897 3.77475058 -0.00300797 -0.00701153 0.11180466 -0.28159801 Pd 5.70887006 5.71677992 -0.02152718 0.06891669 -0.12502628 -0.22095551 Pd 5.66681577 3.78111906 1.85243563 0.43641117 0.21825805 0.09677026 Pd 3.83274392 5.68049394 1.90994963 -0.19885774 0.17905373 -0.35159942 Pd 7.67095651 3.82165095 0.01691294 -0.13780412 -0.06330116 -0.24680684 Pd 9.50937067 5.70057988 -0.00935930 -0.36052535 0.13876786 0.46447215 Pd 9.50114501 3.83202855 1.89477058 0.21148274 -0.11681211 -0.11459991 Pd 7.58165564 5.75028064 1.91861132 0.29430597 -0.35921230 -0.39255070 Pd -0.01357562 7.57402456 0.01398186 0.41134918 0.31376439 0.28323456 Pd 1.93505510 9.48294142 -0.03495564 -0.21699281 -0.55896391 0.63827181 Pd 1.85128469 7.59343624 1.87906304 0.19281311 0.50149656 -0.31020756 Pd 0.02589128 9.49361342 1.86673637 0.33062749 -0.36921395 -0.27035107 Pd 3.78448244 7.56733853 0.02772506 0.17985920 0.68994288 -0.35987452 Pd 5.74032276 9.53838752 -0.00549300 -0.09209212 -0.54669049 0.50800853 Pd 5.67414425 7.62036530 1.88251070 0.21097177 0.38849368 -0.13561034 Pd 3.82179391 9.51902201 1.93511118 -0.13858938 0.15119441 -0.54829606 Pd 7.63095507 7.62373754 0.00914860 0.34202657 0.40070448 -0.17165156 Pd 9.51403253 9.52479178 0.00316534 -0.87390725 -0.87020338 0.86543800 Pd 9.52578135 7.63362110 1.92632992 0.16725113 0.38416689 -0.61950133 Pd 7.60693228 9.50264104 1.89717725 0.33074987 0.23922538 -0.38226210 Pd 0.02435352 -0.03212553 3.80571915 0.35962697 0.44352859 0.04729998 Pd 1.89591521 1.90746331 3.78478857 -0.17540050 -0.09604958 0.21999387 Pd 1.93515750 0.03063094 5.69881998 -0.55106543 -0.26568595 0.17326674 Pd 0.00360999 1.91212670 5.67816940 -0.10966567 -0.49248951 0.21660925 Pd 3.78871501 0.02215610 3.78897117 0.07739924 -0.57186068 0.16204217 Pd 5.69436175 1.87803735 3.79310926 0.03955076 -0.04335080 0.09104196 Pd 5.67009502 -0.01701358 5.69642439 0.30077299 -0.27194510 0.05977196 Pd 3.83548365 1.89038422 5.74011373 -0.40501265 0.13780564 -0.32295265 Pd 7.60544428 0.00910692 3.81294270 0.30126605 -0.25592535 -0.15682894 Pd 9.53389070 1.92500572 3.83722708 0.13607066 -0.37548718 -0.32984462 Pd 9.47950131 -0.02335109 5.66685405 -0.25559328 0.38131969 0.09542530 Pd 7.63018765 1.92767586 5.67975607 0.14630407 -0.56583114 0.13476918 Pd -0.00054862 3.83227560 3.83108350 -0.30111221 -0.09789903 -0.15846229 Pd 1.92714056 5.73927862 3.78388124 -0.44261401 -0.33496099 0.26117022 Pd 1.88120112 3.83715739 5.73143121 0.14969213 -0.53423817 -0.41848092 Pd -0.01914476 5.68942045 5.71454482 -0.31524700 0.21841552 -0.15474845 Pd 3.81694267 3.80267686 3.78327352 -0.11794826 -0.17999328 0.29706912 Pd 5.68252449 5.73960954 3.83850196 0.14478668 -0.26794567 -0.17767234 Pd 5.72806332 3.77852653 5.72524183 -0.38201504 0.26380997 -0.31311572 Pd 3.78135473 5.69926786 5.73910967 0.28516520 -0.28618119 -0.39893650 Pd 7.59143599 3.81226493 3.83317174 0.27183295 0.14813362 -0.52334087 Pd 9.52790585 5.74065341 3.76945591 0.16027629 -0.15360409 0.19323826 Pd 9.53319417 3.82781040 5.69588951 0.32992473 0.05573822 -0.01050357 Pd 7.60481705 5.67492869 5.71295707 0.27903420 0.47431885 -0.33845623 Pd 0.01129610 7.58662525 3.79126678 -0.33250674 0.36896892 0.21651234 Pd 1.87000767 9.49437163 3.75465578 -0.18633171 0.26771682 0.28153470 Pd 1.93420305 7.60220552 5.72486327 -0.83530408 0.42586428 -0.35545133 Pd 0.01489787 9.52883953 5.71469777 0.38704848 -0.51801642 -0.08782974 Pd 3.77431152 7.60413177 3.80820247 0.22494848 0.42390341 -0.10566912 Pd 5.68929106 9.52731109 3.83583795 0.12695072 0.11244561 -0.12809700 Pd 5.66556587 7.60364876 5.73954580 0.30816131 0.31385933 -0.32849510 Pd 3.79656607 9.53886172 5.68577945 -0.10816162 0.22878297 0.07973173 Pd 7.61217926 7.62136694 3.78719648 0.00191018 0.23979977 0.29687595 Pd 9.48535195 9.49893949 3.84741644 -0.26150969 -0.25284577 -0.07932894 Pd 9.48289388 7.60154587 5.72732144 0.32821306 0.25656333 -0.16108828 Pd 7.59548544 9.49104895 5.72426838 0.26784151 0.29634251 -0.09029030 Pd -0.00321031 -0.03084327 7.62815134 0.84364972 0.87927155 0.23311516 Pd 1.93224849 1.91131736 7.63361042 -0.82296708 -0.51035687 0.18880700 Pd 1.92180176 -0.03400587 9.53612306 -0.37749511 0.70328073 -0.73197756 Pd -0.02013900 1.90745608 9.50980000 0.76217398 -0.32534382 -0.73097398 Pd 3.81410531 0.00269906 7.62734207 -0.09929279 -0.40172133 0.26055319 Pd 5.71940257 1.90869585 7.57845716 0.16373920 -0.42022908 0.68567952 Pd 5.69926265 0.01056000 9.47319801 0.13733585 0.41267342 -0.29834163 Pd 3.78028860 1.89230859 9.48714053 0.22695926 -0.27418764 0.45240162 Pd 7.63068865 0.03989189 7.59694526 0.36058598 -0.20575424 0.49288941 Pd 9.50523183 1.91738483 7.57193380 0.19972487 -0.42371515 0.60144605 Pd 9.52711084 -0.01333309 9.49211244 -0.97108909 0.99308331 -0.94870797 Pd 7.63159400 1.93772641 9.53546992 0.36024120 -0.55077643 -0.08179352 Pd 0.00404463 3.79070989 7.59568526 -0.40650253 -0.19126864 0.48651083 Pd 1.87150022 5.67047878 7.58983382 -0.18908093 0.36176243 0.67783797 Pd 1.92869058 3.82473253 9.50967686 -0.54916402 -0.27188369 0.34828359 Pd 0.03121918 5.67081926 9.51662213 0.29300877 0.11677148 -0.34057325 Pd 3.83631351 3.83490001 7.63387319 -0.22022629 -0.33948927 -0.15577014 Pd 5.74776789 5.70648069 7.59787195 -0.42589444 0.06707590 0.29057376 Pd 5.69758112 3.81851159 9.48432415 0.15769454 -0.20529534 0.52032824 Pd 3.78919416 5.67523887 9.48837533 0.05884194 0.50479003 0.43158279 Pd 7.61160902 3.82495566 7.59839714 0.49251358 -0.36773867 0.50864731 Pd 9.47200210 5.73174560 7.60004210 0.54200066 -0.18141505 0.47698173 Pd 9.49891688 3.80225141 9.52955591 -0.39550346 0.03046197 -0.48809877 Pd 7.59323075 5.70954899 9.50667510 0.42212219 -0.04051660 0.46598551 Pd 0.01583806 7.57383713 7.59033685 -0.22305166 0.59975723 0.52513009 Pd 1.87062775 9.51878018 7.57070448 -0.25162260 0.12605836 0.70110793 Pd 1.87754957 7.64158756 9.52243623 -0.28587822 0.39311045 -0.08932477 Pd -0.00036396 9.53396226 9.51193922 0.94923621 -0.94526413 -0.93058646 Pd 3.76472241 7.56935284 7.56938726 0.22159155 0.76617685 1.02655340 Pd 5.71924800 9.51536827 7.57667520 -0.26843310 0.19132725 0.55985876 Pd 5.70155220 7.60725137 9.48763717 -0.26903690 0.38305509 0.22596182 Pd 3.81052425 9.53456557 9.50022794 -0.05022436 -0.64217760 -0.64907971 Pd 7.60071214 7.59686818 7.62892328 0.34684001 0.49731903 0.25912919 Pd 9.47462894 9.47629151 7.62435747 -0.36319340 -0.40953826 0.28913300 Pd 9.52830868 7.56574187 9.53356500 -0.59770435 0.27999058 -0.54953735 Pd 7.60330998 9.48081814 9.51383488 0.21727277 -0.49093342 -0.46534734