108 Lattice="16.466409270757307 0.0 0.0 0.0 16.466409270757307 0.0 0.0 0.0 16.466409270757307" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.27070847217925 stress="0.6038662648957338 0.04529833829959784 -0.5241826118960586 0.04529833829959784 0.39821742642655344 -0.522375741993991 -0.5241826118960586 -0.522375741993991 0.3888914569213684" pbc="F F F" Na 0.04107827 -0.00879305 0.03965627 0.05791088 0.05711782 0.04792227 Na 2.78301417 2.78768583 0.02382542 -0.05728182 -0.04230830 -0.01399269 Na 2.78613686 0.03973745 2.78004754 -0.03467602 -0.01952696 -0.03909422 Na 0.00057175 2.76458944 2.78241967 0.00790101 -0.02123076 -0.05113678 Na 5.48116165 -0.04269851 -0.02447062 -0.00142059 0.04713804 0.03039056 Na 8.26836828 2.75326987 0.00486678 -0.02487398 -0.01513078 -0.01662013 Na 8.19217796 0.03354044 2.75523874 0.03009609 -0.03208565 -0.05378242 Na 5.48948651 2.69183915 2.74983693 0.01916613 0.01163444 -0.03193739 Na 10.99319294 0.02798104 -0.02176392 -0.00735916 0.00999860 0.04425966 Na 13.72395891 2.69018309 -0.00291892 -0.03841507 0.02212158 0.02786285 Na 13.74951882 -0.02746498 2.71363357 -0.05668858 0.04970973 0.02306153 Na 10.95676335 2.74182561 2.75762390 0.06726434 -0.03629193 -0.04692925 Na -0.01896734 5.49377347 -0.02348984 0.03816630 -0.01181178 0.05647729 Na 2.75105970 8.15238804 0.03547678 -0.01771430 0.02135126 0.01738952 Na 2.78886542 5.44996193 2.79091292 -0.05731520 0.00437162 -0.03804809 Na -0.04540454 8.22646913 2.77915756 0.01488335 -0.00910233 -0.05236844 Na 5.47352964 5.46712282 0.03100384 0.03306022 -0.00129090 -0.01589481 Na 8.20709104 8.20360582 0.00246896 0.02261511 0.00904935 -0.02687270 Na 8.23784523 5.45619855 2.77982111 0.01068657 0.02025943 -0.06554610 Na 5.54308615 8.22841092 2.75611011 -0.03701225 0.01320198 -0.01927853 Na 11.00060192 5.54093145 -0.04514369 0.01813538 -0.03574334 0.01833910 Na 13.74131354 8.27398065 -0.00519212 -0.02494086 -0.01390052 0.02240525 Na 13.70605191 5.44721290 2.73649872 0.01112681 0.01841424 -0.02491895 Na 11.00558963 8.24786508 2.75544742 -0.01345271 -0.02214914 -0.02740681 Na 0.09607133 10.99632126 0.01925270 0.00982495 -0.02605587 0.00403618 Na 2.70446411 13.75566164 -0.00704189 0.01876271 -0.00810525 0.01730644 Na 2.72520723 11.03032529 2.71598569 -0.01251900 -0.04197135 0.01331949 Na -0.00685349 13.73581262 2.69534575 0.01793141 -0.02724430 0.02585511 Na 5.45369551 10.98265484 0.01823072 -0.00522138 0.02010587 -0.02337736 Na 8.24781066 13.77245099 -0.02598020 -0.02581872 -0.04338739 0.04088684 Na 8.27431909 10.92548767 2.67995163 -0.03092953 0.05899753 0.02219845 Na 5.45613999 13.72315042 2.71991086 0.04307040 0.01362624 -0.03048324 Na 10.99490971 11.04507011 0.00361682 0.01757768 -0.03029909 -0.03387719 Na 13.76198912 13.76608259 -0.03122649 -0.05085235 -0.06199130 0.07212418 Na 13.70997254 10.94428121 2.73207148 0.03386919 0.04309326 -0.02988846 Na 10.97422980 13.66856693 2.70925239 0.03659499 0.04380496 -0.03260287 Na 0.06462742 0.07423022 5.53306960 -0.01284258 -0.01097957 -0.01754313 Na 2.77502735 2.69072859 5.54191148 -0.03010807 0.04002159 -0.01736912 Na 2.79308794 0.05423040 8.20864427 -0.04055805 -0.05029654 0.04532414 Na -0.04910562 2.69957056 8.29605714 0.00098850 0.02767476 -0.02069140 Na 5.53347156 -0.00346391 5.46739615 0.01255424 -0.02993364 0.03780127 Na 8.26532310 2.74626621 5.48196868 -0.04801821 -0.03025695 0.01773022 Na 8.26872146 0.03917488 8.28799020 -0.01373884 -0.04452841 -0.02836644 Na 5.47318380 2.69599295 8.25296499 0.06961066 0.02539516 -0.01044015 Na 10.94197377 0.02333154 5.50126079 0.04425046 -0.02029062 -0.02374188 Na 13.75081936 2.73959597 5.52140031 -0.00714508 -0.01660033 -0.02890727 Na 13.70223996 0.04150032 8.22259960 -0.04204012 0.01360798 0.02012051 Na 10.92346672 2.78513736 8.18871418 0.08356317 -0.04735353 0.03307940 Na 0.04169814 5.48705652 5.49690083 -0.02772763 -0.02388412 0.02617353 Na 2.76301935 8.21987976 5.41074650 -0.00983154 0.01988006 0.03777619 Na 2.74960672 5.43845928 8.23186509 -0.00990710 0.01971381 -0.02624325 Na 0.04326796 8.23256765 8.26482932 -0.03045331 -0.03499458 -0.03409314 Na 5.54299532 5.44564083 5.47179479 -0.03542441 0.00072169 0.03656144 Na 8.18295599 8.18600311 5.54197641 0.06533467 0.06080194 -0.03404242 Na 8.28479820 5.50851941 8.21144481 -0.05506029 -0.02173482 0.02049550 Na 5.47993950 8.28488586 8.21075080 -0.02846428 -0.04964465 -0.00833696 Na 10.93930685 5.44337995 5.46936985 0.05809159 0.04184190 0.01333365 Na 13.69948237 8.18144655 5.52232389 0.02624978 0.03521455 -0.00902250 Na 13.73688110 5.51327168 8.22104016 -0.01062632 -0.01987383 0.01639128 Na 11.00170816 8.27569324 8.24453285 0.01594041 -0.00138306 -0.01076807 Na -0.05333366 10.95628795 5.50713136 0.01473861 0.05383892 -0.00709896 Na 2.76056564 13.71693087 5.43531843 -0.05065678 0.01085159 0.03839836 Na 2.70548336 10.95905523 8.20502523 0.02493167 0.05870391 -0.02530095 Na 0.02937299 13.77322788 8.26806157 0.01981068 -0.03126215 -0.03947652 Na 5.51405504 11.02337642 5.48176057 -0.01731204 -0.00351477 -0.02277778 Na 8.26042396 13.71563527 5.42845929 -0.00739888 0.01921143 0.00709906 Na 8.18747467 10.99592146 8.22278130 0.06636999 0.01536621 -0.01224105 Na 5.52166688 13.75042430 8.23711023 -0.02375607 0.01704137 -0.02348432 Na 11.03172733 11.02453939 5.45354937 -0.03345121 -0.03514804 0.04687244 Na 13.71208187 13.71431223 5.41711146 -0.01627919 0.00069623 0.01492345 Na 13.77468528 11.07318450 8.25969098 -0.02282655 -0.03012043 -0.01428523 Na 10.96514199 13.75065937 8.23918312 0.02685290 -0.01515584 -0.01021755 Na -0.01663668 0.05149750 11.01940428 0.04655106 0.00850532 -0.00341746 Na 2.75629174 2.74310372 10.95162992 -0.01744087 -0.03204510 0.04989010 Na 2.76432175 0.05256870 13.73864459 -0.02603041 0.03046645 -0.03387630 Na -0.04518757 2.76178339 13.70369746 0.03400351 -0.03276000 -0.01746086 Na 5.53655934 -0.02385861 10.99319730 -0.03416833 -0.00841111 0.01658109 Na 8.26804535 2.71127143 10.97887343 -0.04652435 0.01337588 0.04778889 Na 8.18051868 -0.04431386 13.71731611 0.01778352 0.04053826 -0.01043692 Na 5.43946158 2.72779053 13.75585121 0.05248384 0.00600304 -0.01798288 Na 10.96100543 0.04506477 11.03032615 0.03426769 -0.02201440 -0.02666437 Na 13.71528366 2.77504643 10.95412818 0.00391853 -0.02786508 0.01484701 Na 13.66932738 0.02123163 13.72581767 -0.00014623 0.02668226 -0.03382726 Na 11.03058300 2.69577876 13.71590356 -0.04660801 0.02398201 0.03224637 Na 0.03894887 5.44777205 11.02086791 -0.03647692 0.02462355 -0.00621385 Na 2.72425914 8.20607595 10.92691426 0.01950185 0.00458643 0.09568100 Na 2.70112776 5.42269382 13.74982135 0.01676621 0.04122959 -0.00481185 Na -0.00966831 8.27397884 13.74507855 0.03719444 -0.01203752 -0.04865378 Na 5.51866241 5.49518580 10.94825016 -0.02378930 -0.01030706 0.04577891 Na 8.20907864 8.21839808 10.94320629 -0.00537642 0.01784372 0.02761833 Na 8.22505729 5.50305004 13.67445418 -0.00605924 -0.02214460 0.03831931 Na 5.45376381 8.25500221 13.77122277 -0.02067289 -0.02140433 -0.03265052 Na 10.92963948 5.44375649 10.97148796 0.08328893 0.04695226 0.03323337 Na 13.75815575 8.26571196 10.97462314 -0.02115404 -0.03657522 0.02847962 Na 13.72243526 5.46041031 13.76399492 -0.04018504 0.01883617 -0.05330025 Na 10.94809524 8.22174357 13.74008746 0.04742434 -0.01666307 -0.00468181 Na 0.04570378 10.98032031 10.93002573 -0.03531980 0.02171536 0.04626850 Na 2.73002698 13.70847079 10.95270854 0.01645898 0.01943067 0.05691961 Na 2.69662464 10.98417844 13.72839270 0.04007904 0.01569708 -0.01299058 Na 0.02532768 13.67382744 13.74301609 0.02236481 -0.03824910 -0.04993899 Na 5.48980417 11.02003607 10.93071896 -0.03035855 -0.00942164 0.07234345 Na 8.28789570 13.70057381 10.96046531 -0.01757915 0.02296869 0.05201981 Na 8.19295123 10.92304189 13.70714946 0.02360455 0.05189717 0.01918300 Na 5.53135004 13.71542087 13.76652549 -0.02484047 -0.04106298 -0.05960983 Na 10.93684330 10.93945958 11.03982141 0.05382084 0.04438985 -0.03833562 Na 13.67910280 13.71453997 11.00513754 -0.02190707 -0.02058435 0.00224206 Na 13.72307117 10.96416206 13.71478602 -0.02580061 0.00789893 -0.01947539 Na 11.03005508 13.73444840 13.68961485 -0.03688723 -0.04407331 -0.00252260