108 Lattice="11.405566234279418 0.0 0.0 0.0 11.405566234279418 0.0 0.0 0.0 11.405566234279418" Properties=species:S:1:pos:R:3:forces:R:3 energy=-381.4716115089251 stress="-3.3729264961097694 -0.7967610591065131 -0.1496882415008578 -0.7967610591065131 -2.8647939246470884 0.16915885764861116 -0.1496882415008578 0.16915885764861116 -3.03346950491143" pbc="F F F" Pd -0.00637069 0.03537820 -0.02914358 0.90705713 0.90250672 0.92625300 Pd 1.93511993 1.93589011 -0.03055525 -0.60303967 -0.79593304 -0.25722379 Pd 1.87205702 0.00144720 1.93077565 -0.20278433 -0.26379300 -0.81531639 Pd 0.01822269 1.89584888 1.87772996 -0.23226889 -0.37706626 -0.37643695 Pd 3.83742556 -0.02950682 -0.01978299 -0.10798600 0.57998275 0.52330540 Pd 5.73597975 1.90988728 0.01477362 -0.19028186 -0.41810771 -0.43590324 Pd 5.67945090 0.03801845 1.87799143 0.14262797 -0.28682235 -0.17699837 Pd 3.74972563 1.91889311 1.86322753 0.44167272 -0.65245684 -0.17977340 Pd 7.59654679 -0.03725298 -0.02177718 0.28047871 0.74580143 0.75909051 Pd 9.52132114 1.90791252 -0.00119068 -0.64244275 -0.34053634 0.59020011 Pd 9.50332264 -0.03712956 1.88130950 -0.75190745 0.72632264 -0.23984782 Pd 7.61842716 1.93168020 1.88943481 0.33138516 -0.71552511 -0.31488955 Pd 0.03796737 3.79834589 -0.02638643 0.17531283 -0.07079607 0.30278464 Pd 1.84311320 5.72331659 0.02321832 0.24749130 -0.26333504 -0.68446156 Pd 1.90293048 3.79320988 1.88818006 -0.53367972 0.23095105 -0.24064502 Pd 0.01791777 5.72855357 1.86299772 -0.53543176 -0.21818668 0.19771311 Pd 3.78589340 3.81112577 -0.01453583 0.10939776 0.11477079 -0.44689586 Pd 5.72579204 5.67696985 0.02206474 -0.08021409 0.20276458 -0.47593102 Pd 5.66572484 3.78025623 1.89817771 0.42780788 0.10333644 -0.18908510 Pd 3.83982060 5.68475577 1.89437984 -0.49038830 0.18887388 -0.29643757 Pd 7.60269335 3.79805638 -0.02900675 0.48525784 0.07247787 -0.12913748 Pd 9.52362535 5.68792511 -0.02732038 -0.59268608 0.04268206 0.61785421 Pd 9.52359023 3.78546802 1.89211465 0.20261211 0.17355596 -0.45824696 Pd 7.60109520 5.68367535 1.90477073 0.37668509 -0.01884677 -0.41181385 Pd -0.00299403 7.56598014 0.01507413 0.36880311 0.64845059 0.39111838 Pd 1.91579103 9.52606281 -0.00303374 -0.26408249 -0.66042386 0.74268547 Pd 1.93601933 7.57014357 1.86574379 -0.46518826 0.92984644 0.22092597 Pd -0.00640759 9.53814011 1.92242673 0.83840253 -0.80428045 -0.23103454 Pd 3.76622775 7.59604940 -0.02101943 0.33231166 0.45686352 -0.14754715 Pd 5.69560746 9.53050081 -0.03797781 -0.02856364 -0.71294644 0.72437174 Pd 5.66874739 7.57996722 1.93085854 0.26191743 0.64026878 -0.82836105 Pd 3.80446767 9.53015972 1.92646335 -0.00385474 0.01885925 -0.55306592 Pd 7.61551100 7.60808820 0.01882798 0.23559477 0.30904229 -0.22248216 Pd 9.48495148 9.50536656 -0.02036135 -0.77705241 -0.79003463 0.78990909 Pd 9.47022609 7.63410450 1.92391999 0.36493702 0.17855115 -0.40408074 Pd 7.62855808 9.49644946 1.86806264 0.17227160 0.24619507 -0.30543830 Pd 0.03643337 -0.02999229 3.78507668 0.33420584 0.48069801 0.15711237 Pd 1.92132154 1.89564985 3.76891544 -0.53469266 -0.18107696 0.52839304 Pd 1.93586620 -0.01449052 5.71503384 -0.49666148 0.01737947 0.04766781 Pd 0.02598532 1.92692244 5.70051669 -0.16599416 -0.52888019 -0.01170810 Pd 3.79253257 0.00109679 3.80954765 0.14541979 -0.19736924 -0.03525429 Pd 5.68474770 1.93583836 3.77778660 0.16895922 -0.61594452 0.15871015 Pd 5.71080449 -0.00750398 5.71499180 0.13427726 -0.20971536 -0.23390798 Pd 3.83350326 1.91017410 5.73883053 -0.46801292 -0.41567667 -0.45757642 Pd 7.60692155 -0.03224234 3.80718382 0.21016117 0.13670324 -0.09947542 Pd 9.47783074 1.90964509 3.77198423 0.35671142 -0.51311844 0.08813360 Pd 9.51763564 0.03027198 5.67741810 -0.42050424 0.36356187 0.02037686 Pd 7.62322927 1.93118136 5.73151895 0.15997933 -0.58229774 -0.30108462 Pd -0.02027307 3.83730177 3.81201940 -0.13688020 -0.25435236 -0.13430606 Pd 1.90441555 5.66548474 3.80929615 -0.19032689 0.56383444 -0.14133288 Pd 1.91962093 3.79231348 5.72463975 -0.48931403 -0.08743004 -0.18932593 Pd 0.03640918 5.73486929 5.67137811 -0.47123807 -0.21239816 0.24693861 Pd 3.76627668 3.82970322 3.78319030 0.29239635 -0.36055120 0.29280687 Pd 5.68750069 5.69848400 3.79995047 0.18496032 -0.26323030 0.20036981 Pd 5.69035456 3.76861548 5.69771383 0.20105251 0.41939480 -0.05407980 Pd 3.79714648 5.69550037 5.73659306 -0.09475801 0.10162143 -0.41415101 Pd 7.63569416 3.82047999 3.83904474 -0.24942752 -0.30950906 -0.45116298 Pd 9.48523688 5.67039679 3.80394134 0.72857199 0.34282009 -0.22517903 Pd 9.53110494 3.81276461 5.68845128 0.48659739 -0.18245571 0.28211608 Pd 7.65586093 5.69449350 5.67162702 -0.34480062 0.29946859 0.45424669 Pd 0.00156783 7.60895073 3.80495968 -0.06577181 0.45015530 -0.21700283 Pd 1.92228818 9.49687866 3.82375248 -0.55274854 0.16213258 -0.22732872 Pd 1.87164291 7.63229315 5.73813710 0.01608703 0.04773684 -0.28403287 Pd -0.02597765 9.51498881 5.72655786 0.45016754 -0.41274212 -0.05827231 Pd 3.82602985 7.60654985 3.83965145 -0.50292708 0.15312435 -0.23047664 Pd 5.73989162 9.49572044 3.75761465 -0.11692537 0.43037014 0.21554062 Pd 5.69242413 7.59408984 5.68166715 0.33363106 0.26633892 0.28884478 Pd 3.78163841 9.51984564 5.70277452 0.31431384 0.37777815 -0.09242153 Pd 7.59064648 7.58323236 3.80988689 0.49940182 0.50789518 -0.09901223 Pd 9.50957787 9.54239504 3.85810073 -0.54061754 -0.51495417 -0.10618764 Pd 9.53685484 7.62741034 5.69556860 0.07346668 0.29895905 -0.05230060 Pd 7.58414901 9.48683100 5.71260723 0.42673306 0.20590478 0.00864857 Pd -0.00700660 -0.01124100 7.63781418 0.70034781 0.68168114 0.11724480 Pd 1.88267663 1.91347720 7.63809586 -0.44091327 -0.72543529 -0.16300039 Pd 1.88709262 0.02341691 9.53981259 -0.26505315 0.41903453 -0.60936606 Pd 0.01229532 1.93128204 9.50585051 0.23254084 -0.37745304 -0.42482675 Pd 3.83636727 0.00901251 7.59814263 -0.22531899 -0.43665525 0.38439032 Pd 5.70193732 1.89005645 7.58351012 0.30609133 -0.09215125 0.64402452 Pd 5.76336942 -0.01166648 9.48583088 -0.13663798 0.36126270 -0.31679182 Pd 3.76949999 1.87491638 9.46813993 0.26687537 -0.24388809 0.48277435 Pd 7.62716519 0.00235762 7.61317939 0.38286690 -0.33642484 0.28292854 Pd 9.46830580 1.88362651 7.63759862 0.50470206 -0.29000483 0.30131726 Pd 9.53788136 0.00914350 9.54063023 -0.91726298 0.86669460 -0.89122490 Pd 7.60659364 1.89056097 9.48652838 0.30728271 -0.21930025 0.30010439 Pd -0.03726393 3.83589329 7.59210428 -0.15946540 0.02830759 0.26084952 Pd 1.93537774 5.67208090 7.62863941 -0.78909385 0.31610739 0.10268556 Pd 1.86801568 3.76968017 9.47091465 -0.17123048 0.39063093 0.59399306 Pd -0.03135701 5.70790539 9.53782198 0.51435334 -0.02368227 -0.57895195 Pd 3.78870074 3.80666025 7.59813113 0.18673787 -0.17015374 0.50959336 Pd 5.67979693 5.66831256 7.57823305 0.39431821 0.23945297 0.45449703 Pd 5.65426436 3.78433535 9.49214152 0.23167125 0.11436505 0.23246449 Pd 3.77343365 5.76060579 9.51136823 0.21498366 -0.28208924 0.31188695 Pd 7.63681524 3.85727700 7.60101060 -0.09562492 -0.35203972 0.27618016 Pd 9.48928841 5.76351350 7.60568010 0.61793628 -0.09561324 0.15676131 Pd 9.47858858 3.86720218 9.47863798 -0.05647174 -0.24216689 -0.14718496 Pd 7.65081615 5.70922383 9.51693535 -0.17019677 0.03279749 0.35070111 Pd -0.00713489 7.59114410 7.58162352 -0.26082972 0.48628026 0.65726889 Pd 1.93214978 9.51582671 7.57930823 -0.63097961 0.22603063 0.71312428 Pd 1.86595345 7.58613836 9.44867159 -0.44498323 0.73913975 0.33300941 Pd -0.02592508 9.49676791 9.52861140 1.00358215 -1.01728332 -1.03261836 Pd 3.83657046 7.62190540 7.57590514 -0.26947610 0.23154191 0.53300830 Pd 5.70703841 9.49807612 7.61160518 -0.08070180 0.36801296 0.16862530 Pd 5.72870452 7.59260702 9.47689871 -0.20990822 0.20385775 0.45488234 Pd 3.81997844 9.49162623 9.51915438 -0.06102025 -0.48269188 -0.47889625 Pd 7.61167224 7.59996562 7.65033297 0.23533830 0.28573674 -0.28877352 Pd 9.51546820 9.47833694 7.62145450 -0.47127339 -0.43362737 0.12947690 Pd 9.52776549 7.62668521 9.51727001 -0.44228337 0.20538292 -0.40384169 Pd 7.58498758 9.49538060 9.47580246 0.32343244 -0.28284447 -0.25579926