108 Lattice="11.317328668031484 0.0 0.0 0.0 11.317328668031484 0.0 0.0 0.0 11.317328668031484" Properties=species:S:1:pos:R:3:forces:R:3 energy=-351.6926519342436 stress="-0.007916301343952447 -7.180085492125877e-05 -0.0007752903121640173 -7.180085492125877e-05 -0.008017843404791931 -0.0002876856531237352 -0.0007752903121640173 -0.0002876856531237352 -0.008041227629094278" pbc="F F F" Pd 0.03558732 0.03502552 0.01359422 0.70843370 0.71378650 0.72055542 Pd 1.92069395 1.85966439 0.01722622 -0.47868427 0.05225693 -0.40916723 Pd 1.92153354 0.01272058 1.83199544 -0.46229959 -0.29020110 0.22565390 Pd 0.01198550 1.89238357 1.89274781 -0.12912944 -0.28515399 -0.26299793 Pd 3.75416688 0.02701814 0.01131334 0.19446981 0.26258465 0.29052244 Pd 5.68034088 1.86785027 0.03187140 -0.00956010 -0.12163228 -0.34605087 Pd 5.66189436 0.00758970 1.91384907 0.10199817 -0.30943840 -0.32503802 Pd 3.75768159 1.88628570 1.90908538 0.25085777 -0.51510189 -0.37116129 Pd 7.56148221 0.00671066 0.01503824 0.07839510 0.61046127 0.63745957 Pd 9.41669803 1.92271993 0.00742572 -0.49446215 -0.18181741 0.48645669 Pd 9.43246282 0.01771888 1.84872184 -0.67123815 0.67863186 -0.00053243 Pd 7.56982300 1.90933665 1.86354361 0.37511391 -0.42379401 -0.13568327 Pd 0.03600406 3.80926031 0.02618410 0.40483102 -0.20296295 0.42928511 Pd 1.89850512 5.62372384 0.02964761 -0.33584164 0.26716644 -0.57914408 Pd 1.92269154 3.75645755 1.90609851 -0.74285750 -0.15038443 -0.65750119 Pd 0.03766059 5.65256382 1.90926800 -0.64026568 0.04745880 -0.58046793 Pd 3.76003633 3.77628672 0.02031204 0.14284586 -0.21699714 -0.66621911 Pd 5.62671938 5.67623036 0.02521051 0.19674539 -0.13903638 -0.66946592 Pd 5.62941423 3.76605404 1.92154658 0.24599530 -0.24019875 -0.85583065 Pd 3.75441908 5.64859508 1.87897991 0.28606623 0.18717662 -0.39376374 Pd 7.57734140 3.80698001 0.00753659 -0.04474425 -0.18077600 -0.45578307 Pd 9.44744349 5.62810118 0.02001646 -0.42627218 0.22323124 0.38201451 Pd 9.45398392 3.79405396 1.85309062 0.26649844 -0.07544235 0.12394617 Pd 7.51025169 5.63678081 1.85023155 0.84794306 0.19067985 -0.22093170 Pd 0.03542160 7.53597284 0.01600842 0.70040612 0.16473966 0.69790774 Pd 1.91216160 9.45466293 0.00340988 -0.07430596 -0.80647008 0.78482522 Pd 1.91289335 7.53279098 1.90247955 -0.53708480 0.87289954 -0.95673315 Pd 0.03001062 9.45770215 1.87251431 0.74823363 -0.74130333 -0.11934626 Pd 3.79670461 7.51198390 0.00405625 -0.21238538 0.62644797 -0.31400964 Pd 5.69260924 9.45315577 0.03753951 -0.05724567 -0.43764050 0.39541369 Pd 5.68300921 7.56417237 1.87230424 -0.28893658 0.29726846 -0.22322588 Pd 3.80473742 9.44956244 1.90753908 -0.18971399 0.25227435 -0.48285703 Pd 7.53880958 7.57572116 0.02591616 0.27095301 0.01891826 -0.44560619 Pd 9.39517239 9.39526915 0.01605734 -0.66792619 -0.59515827 0.64071080 Pd 9.42788693 7.57928892 1.85347023 0.39871233 -0.12913052 -0.24247852 Pd 7.56494805 9.40799388 1.92253998 0.08731120 0.69827565 -0.41666981 Pd 0.03400859 0.01978175 3.78576490 0.41329904 0.47612522 -0.18463317 Pd 1.89309827 1.92081997 3.80788920 -0.51628015 -0.81543537 -0.28100334 Pd 1.81692722 0.02512575 5.65273612 0.18888027 -0.46537260 0.10062323 Pd 0.00923938 1.90489180 5.68728854 -0.64766053 -0.27362025 -0.17438915 Pd 3.77261122 0.00303960 3.77888464 -0.10112224 -0.45992975 0.02364532 Pd 5.69297748 1.89483121 3.77888925 -0.13139736 -0.48510040 -0.19939536 Pd 5.69074099 0.01616131 5.66584867 -0.10372211 -0.62022329 -0.01764462 Pd 3.80330519 1.89920456 5.62700067 -0.21905014 -0.61433337 0.29870841 Pd 7.55799881 0.02497562 3.79234252 0.39516426 -0.45235477 -0.27791296 Pd 9.43705857 1.89761718 3.78547366 0.27644107 -0.25965525 -0.19974545 Pd 9.41250835 0.00442128 5.72225797 -0.29015042 0.35673857 -0.11086821 Pd 7.56499028 1.86881908 5.64972394 0.51284703 -0.14741498 0.10986377 Pd 0.03520555 3.79258000 3.73925264 -0.67391267 -0.16120547 0.21030966 Pd 1.88179774 5.67511897 3.73700483 -0.31365822 -0.26667835 0.44472952 Pd 1.88948550 3.74195936 5.69137601 -0.40475232 0.39114959 -0.13032560 Pd 0.03107391 5.69219994 5.63210268 -0.77451534 -0.33245701 0.08669293 Pd 3.74873770 3.79723616 3.76064110 0.22060765 -0.21731085 0.23593476 Pd 5.69159545 5.62498814 3.73767739 -0.28701212 0.54840660 0.18996867 Pd 5.66834454 3.74142155 5.68053122 0.09378281 0.31958259 -0.06504405 Pd 3.78788932 5.62144488 5.62687983 -0.18699520 0.44524861 0.31080574 Pd 7.52272925 3.80286192 3.79861247 0.96961001 -0.27763870 -0.29034464 Pd 9.43969030 5.70357736 3.76367352 0.35333704 -0.17704496 -0.14628293 Pd 9.43529393 3.76915139 5.65043099 0.39148321 0.16098151 -0.02371325 Pd 7.50845378 5.69950219 5.63051145 0.84235595 -0.08667059 0.18072587 Pd 0.02639392 7.52082763 3.72130216 -0.63536652 0.68902348 0.05120935 Pd 1.92162483 9.41365390 3.77349618 -0.48101290 0.48385962 -0.07183317 Pd 1.81957768 7.53700066 5.63689938 0.27078819 0.65778212 0.11274170 Pd 0.01562252 9.46346048 5.67663510 0.51839308 -0.51051759 -0.06495168 Pd 3.74299448 7.50908298 3.74381779 0.35439006 0.48304811 0.20573456 Pd 5.62728441 9.41034200 3.78468299 0.19815999 0.63273407 -0.15935895 Pd 5.64888820 7.56746225 5.62836801 0.02674994 0.12769654 0.09329719 Pd 3.79259823 9.40163076 5.62680049 -0.28951052 0.52194509 0.30964240 Pd 7.57782797 7.57120113 3.71589262 0.13594292 0.00381355 0.33880232 Pd 9.42590360 9.39551769 3.76727842 -0.15609055 -0.17582215 0.02801026 Pd 9.46700872 7.55365704 5.62660394 0.15662919 0.20882390 0.32357401 Pd 7.54722083 9.40514396 5.64310412 0.41226345 0.33285309 0.13631597 Pd 0.00895761 0.02416694 7.54735837 0.46269720 0.52641763 0.15563987 Pd 1.89167824 1.87250671 7.52445650 -0.09795106 -0.43085293 0.65872648 Pd 1.85432409 0.00005561 9.40423339 0.03789420 0.65393962 -0.62058327 Pd 0.03044434 1.92161802 9.43309054 0.44746976 -0.29172127 -0.50343491 Pd 3.80774193 0.01829350 7.54574386 -0.16803430 -0.31172359 0.16727495 Pd 5.68670414 1.91900614 7.51634303 -0.13831147 -0.69573283 0.78720326 Pd 5.63314687 0.02743231 9.45694226 0.16432060 0.52602149 -0.58832571 Pd 3.78120606 1.86654625 9.42100024 -0.14647247 -0.15726516 0.27957407 Pd 7.55045526 0.03243116 7.54129140 0.22143241 -0.28126544 0.54202377 Pd 9.46218365 1.90478576 7.51912426 0.20676583 -0.34847007 0.40631567 Pd 9.44718391 0.02023845 9.44305242 -0.82047847 0.84131908 -0.87980412 Pd 7.56696101 1.89319570 9.43563144 0.13106396 -0.39864438 0.19101079 Pd 0.02914027 3.74071120 7.55749341 -0.53316095 0.23175382 0.26741231 Pd 1.83865966 5.68015981 7.53044634 0.09133229 -0.26665869 0.54496299 Pd 1.84876807 3.73860957 9.45715457 0.07728895 0.21335620 0.16452251 Pd 0.01703181 5.69539409 9.42502929 0.29686715 -0.14767964 -0.41635377 Pd 3.77346035 3.79951137 7.55157365 -0.21529302 -0.09208810 0.52871732 Pd 5.68830835 5.69270508 7.51256597 -0.25106965 -0.13233321 0.63413368 Pd 5.63902819 3.77295684 9.40490670 0.19110165 -0.01811745 0.54019830 Pd 3.79418414 5.64287520 9.45699798 -0.29699416 0.10998069 0.20238272 Pd 7.57514062 3.75311218 7.56916559 0.21964539 0.23060541 0.05404133 Pd 9.42661015 5.64141639 7.53020870 0.31251871 0.19373013 0.18391459 Pd 9.39645410 3.77069451 9.40437158 -0.14245567 -0.03930317 -0.21358876 Pd 7.55780241 5.64813703 9.43862821 0.12380443 0.11485609 0.33679075 Pd 0.03155858 7.57857102 7.52045581 -0.56954044 0.32067827 0.36033410 Pd 1.89433463 9.43563722 7.57775474 -0.15139061 0.22419886 0.12787275 Pd 1.83322126 7.50987945 9.41534028 0.13065212 0.50456639 0.35258538 Pd 0.00019481 9.45419164 9.40454596 0.78113990 -0.80123484 -0.77268707 Pd 3.73027517 7.55369025 7.54102369 0.16420341 0.28618397 0.40284640 Pd 5.71634186 9.41113815 7.52604639 -0.27070377 0.27966104 0.38690816 Pd 5.63192758 7.52834254 9.43272168 0.09478348 0.35577986 0.24301497 Pd 3.80045596 9.45002479 9.45419105 -0.05548308 -0.67930251 -0.66339932 Pd 7.55573527 7.51705564 7.55870448 0.63157014 0.68059564 0.30887055 Pd 9.46105168 9.44096520 7.54005897 -0.84934036 -0.82892989 0.09671356 Pd 9.41392192 7.54163171 9.43827136 -0.63726547 0.13997553 -0.71933810 Pd 7.52258543 9.41998488 9.41224580 0.19562095 -0.67494138 -0.62445166