108 Lattice="11.370552439679042 0.0 0.0 0.0 11.370552439679042 0.0 0.0 0.0 11.370552439679042" Properties=species:S:1:pos:R:3:forces:R:3 energy=-337.10800739420534 stress="-0.00685340183134879 -0.00013639062429260376 0.000663436069556998 -0.00013639062429260376 -0.00713223547597913 0.001317105969626195 0.000663436069556998 0.001317105969626195 -0.0068367491451070935" free_energy=-337.10800739420534 pbc="F F F" Pd 0.01848545 0.00343204 0.03044674 0.56144442 0.56933132 0.46879851 Pd 1.92475646 1.91546256 0.00041589 -0.15801465 -0.20313946 -0.39408963 Pd 1.87587313 0.02702422 1.90913928 0.11716162 -0.58962041 -0.24612669 Pd 0.02805744 1.91775456 1.86177955 -0.60397172 -0.31696638 0.07492741 Pd 3.75817165 0.03145648 0.01688156 0.05423896 0.12116529 0.16127066 Pd 5.68912632 1.90531042 0.03586283 -0.15270817 -0.17146019 -0.74918079 Pd 5.68153276 0.00834972 1.86965418 0.07807975 -0.52139557 0.11241309 Pd 3.80075310 1.86105816 1.91472672 -0.10965908 0.28550445 -0.16178923 Pd 7.55232501 0.01961082 0.00754149 0.16167708 0.31414969 0.31199201 Pd 9.50226233 1.85731763 0.00837199 -0.53841377 0.16720769 0.43216450 Pd 9.46003097 0.02207263 1.90136037 -0.40928910 0.32452929 -0.03603244 Pd 7.56327172 1.90706531 1.85930590 0.35042358 -0.23481351 0.10420863 Pd 0.01635837 3.76569651 0.01775423 0.16352769 0.12667675 -0.06240142 Pd 1.92099360 5.71105961 0.00803310 -0.30520391 -0.32676763 -0.62005290 Pd 1.86472698 3.78336032 1.87131881 0.43285194 -0.00227505 0.12900022 Pd 0.01605572 5.64800822 1.87005273 -0.48149107 0.33423449 0.12846628 Pd 3.80463954 3.79234003 0.02662704 -0.17809793 0.00465912 -0.66520693 Pd 5.70536029 5.71295020 0.00211570 -0.10095108 -0.20343197 -0.50916988 Pd 5.65000098 3.81750136 1.86834044 0.28546844 -0.19394190 0.21625084 Pd 3.75553293 5.66802951 1.92553456 0.11317495 0.19855189 -0.44812171 Pd 7.57137506 3.77436242 0.01979094 0.31470696 0.09770967 -0.44960552 Pd 9.45638811 5.66174551 0.01572662 -0.33745480 0.14215228 0.43403895 Pd 9.49145226 3.75248281 1.91643205 0.31878349 0.12525778 -0.29989534 Pd 7.59297459 5.67473876 1.92754973 0.45643638 -0.01481626 -0.40979501 Pd 0.01222562 7.54808383 0.01598977 0.31921595 0.19893712 0.37232224 Pd 1.93242421 9.44572356 0.02773185 -0.18083958 -0.34365792 0.35483363 Pd 1.86660622 7.55374069 1.87869366 0.02148796 0.49264480 0.29822431 Pd 0.00935924 9.48971894 1.92763686 0.55913425 -0.50427092 -0.08507531 Pd 3.77214653 7.54536410 0.02628750 0.24564462 0.36155576 -0.39362216 Pd 5.65910219 9.46911712 0.00061374 0.04208951 -0.40564414 0.48220969 Pd 5.71560412 7.55050407 1.88596752 -0.34070080 0.62519595 -0.10295389 Pd 3.76811339 9.45546271 1.92631051 0.15946602 0.25769508 -0.24754928 Pd 7.55026851 7.56893139 0.02859428 0.57682766 0.27489846 -0.32909398 Pd 9.50726535 9.49035376 0.01360777 -0.68387812 -0.66912409 0.58547118 Pd 9.51333044 7.62278916 1.90348757 0.06672340 -0.20161251 -0.08668176 Pd 7.61406231 9.46964702 1.89406986 -0.12194684 0.26807874 -0.02513177 Pd 0.02682634 0.02764663 3.77724082 0.10115380 0.26368674 0.13845437 Pd 1.90228235 1.86125339 3.75651892 -0.31957408 0.20842954 0.35271088 Pd 1.91517769 0.00754675 5.69648001 -0.25419486 -0.43884646 -0.05685941 Pd 0.00203322 1.92338752 5.72088300 -0.32583319 -0.17566794 -0.27005694 Pd 3.82063159 0.00907602 3.80495270 -0.11939829 -0.67649502 -0.24292563 Pd 5.72391869 1.92386235 3.78879807 -0.28182655 -0.24716011 -0.11900124 Pd 5.67901802 0.02528949 5.67584048 0.27013554 -0.55689970 0.24649358 Pd 3.79024418 1.86371474 5.66702992 0.23935915 0.26006314 0.20747176 Pd 7.56785656 0.01302242 3.77021079 0.17371690 -0.33885205 0.14169693 Pd 9.43763583 1.89024579 3.77868709 0.42930996 -0.22552140 0.21401548 Pd 9.48054245 0.00018285 5.72255926 -0.38275047 0.41727274 -0.23073199 Pd 7.55328317 1.92674909 5.71746924 0.53650131 -0.30048700 -0.01724984 Pd 0.01218950 3.79103860 3.74418677 -0.40430052 -0.07991877 0.37068994 Pd 1.93027890 5.70476873 3.82093001 -0.63952274 -0.24476039 -0.32737826 Pd 1.90467472 3.76130994 5.67962910 -0.33429367 0.12686190 -0.03303359 Pd 0.02308777 5.67111781 5.70756224 -0.57746431 0.05387810 -0.17163026 Pd 3.76219372 3.78679143 3.82542479 0.16522434 -0.24339086 -0.42154650 Pd 5.65101848 5.69344101 3.76447482 0.51915265 -0.16317064 0.28070694 Pd 5.68907428 3.84592895 5.69210751 0.07472262 -0.57136941 0.04746791 Pd 3.80525279 5.68688758 5.71895881 -0.16340390 -0.05937882 -0.11845009 Pd 7.57602679 3.77317343 3.77482295 0.21651056 0.31374715 0.09840600 Pd 9.50596319 5.67170045 3.80903787 0.35984953 0.15708089 -0.30404864 Pd 9.48794675 3.80237962 5.66882414 0.38407091 -0.24378178 0.26369782 Pd 7.61060070 5.71170560 5.69630296 -0.11933547 -0.06467172 -0.23262370 Pd 0.03574925 7.60004592 3.79191071 -0.52830958 -0.16927011 -0.19986993 Pd 1.92719039 9.48954266 3.81946016 -0.17042610 0.19862928 -0.20807803 Pd 1.89038843 7.54444545 5.67136151 -0.00687039 0.63785966 0.29749701 Pd 0.00987071 9.44764571 5.65044253 0.28595366 -0.10426394 0.14890498 Pd 3.82434467 7.56568641 3.80208321 -0.52217608 0.49718505 -0.18996102 Pd 5.66427377 9.45308765 3.81264448 0.31176641 0.56237480 -0.22349208 Pd 5.66556800 7.58460788 5.68159634 0.50774017 0.16304719 0.25967556 Pd 3.77431832 9.50090445 5.72190597 -0.02637340 0.33819740 -0.15966065 Pd 7.58817406 7.56828064 3.75750705 0.21122052 0.43809558 0.25105488 Pd 9.49676291 9.50768027 3.82590925 -0.45797661 -0.39293032 -0.15715935 Pd 9.44211858 7.59867346 5.65843522 0.53405166 0.07528733 0.17300479 Pd 7.58793792 9.49615989 5.70499817 -0.12247515 0.16522040 -0.12163062 Pd 0.00867329 0.00413082 7.52929494 0.45196238 0.49381475 0.19464395 Pd 1.92715353 1.91440167 7.54923125 -0.64094582 -0.37289454 0.58805145 Pd 1.86146463 0.00760172 9.46252668 0.08633592 0.51509824 -0.53898754 Pd 0.00650129 1.90084625 9.47581054 0.56181301 0.05153987 -0.64521843 Pd 3.80201387 0.03277091 7.59927666 -0.10223038 -0.61337694 0.07902632 Pd 5.68085370 1.91092918 7.61752158 0.30334864 -0.23680938 -0.28900637 Pd 5.68475397 0.02180748 9.47761845 0.17691439 0.30283864 -0.31093290 Pd 3.78214952 1.91210649 9.44861330 -0.20331418 -0.30565376 0.78277775 Pd 7.61188620 0.02571293 7.55646008 -0.22510700 -0.27716115 0.33988161 Pd 9.51053480 1.86032406 7.60205432 0.08194095 0.42003555 -0.07907948 Pd 9.50790983 0.01726344 9.43897306 -0.61986559 0.50516671 -0.46253349 Pd 7.59184576 1.91854827 9.48848709 0.18180951 -0.17515003 0.09097713 Pd 0.01679649 3.82644091 7.59381608 -0.45065932 -0.29005784 0.20620434 Pd 1.92442174 5.65387641 7.58133988 -0.56208190 0.50057725 0.20442708 Pd 1.90767626 3.82620381 9.45908328 -0.27213780 -0.37197487 0.65272420 Pd 0.02845066 5.69001953 9.50667015 0.29327991 0.20551767 -0.46645259 Pd 3.78022265 3.77968854 7.60729582 0.13633150 -0.09535828 -0.36443930 Pd 5.69343077 5.65938049 7.58843950 0.20189414 0.54050697 0.23013419 Pd 5.67727697 3.77933881 9.44209529 0.38004512 0.12190943 0.84861050 Pd 3.81897341 5.67992310 9.44263765 -0.27200995 0.22406402 0.78874326 Pd 7.61520635 3.82230999 7.58422579 0.23920442 -0.39450670 0.29582449 Pd 9.46154223 5.71630912 7.60331610 0.66528423 -0.05532753 -0.08765227 Pd 9.50195346 3.79591278 9.49738260 -0.41533016 -0.04706708 -0.45685921 Pd 7.61537691 5.73212613 9.46938247 -0.19115403 -0.29338541 0.57865243 Pd 0.02241120 7.61457428 7.55079767 -0.19416729 -0.15634226 0.35460959 Pd 1.90359169 9.50216581 7.57126335 -0.17424869 0.12827747 0.13528716 Pd 1.89012717 7.60055586 9.46607337 -0.01133855 -0.11695145 0.17453751 Pd 0.03320937 9.46969713 9.50382639 0.55590871 -0.56020924 -0.64428736 Pd 3.76290187 7.56966610 7.55969675 0.13765091 0.39045526 0.45822107 Pd 5.65703780 9.46949680 7.57481131 0.29313530 0.23726180 0.35746683 Pd 5.64883889 7.56727516 9.51132308 0.35643268 0.28644938 0.07040012 Pd 3.79515233 9.44321294 9.48952645 -0.10697666 -0.21511352 -0.36514739 Pd 7.56963681 7.57753549 7.60461818 -0.08602518 0.47073791 0.05680006 Pd 9.45132092 9.44553463 7.55802082 -0.29217838 -0.31057035 0.12760542 Pd 9.47612909 7.58034858 9.47010476 -0.31198786 0.17471881 -0.31409679 Pd 7.60974951 9.49664009 9.49697033 -0.23141129 -0.64833758 -0.62249087