108 Lattice="19.105604014879873 0.0 0.0 0.0 19.105604014879873 0.0 0.0 0.0 19.105604014879873" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.7025191905013 stress="0.027051169042402234 0.07227866410821404 -0.1320197811982302 0.07227866410821404 0.07142507116555308 0.07895116543955183 -0.1320197811982302 0.07895116543955183 0.11176199447506074" pbc="F F F" Na 0.01362183 0.03467937 -0.04651562 -0.03173641 -0.03947838 -0.03650476 Na 3.20052905 3.20295561 -0.03122719 0.07872340 0.06916466 -0.08096064 Na 3.20462682 -0.04111306 3.19048891 0.06076348 -0.09350548 0.05361259 Na 0.00700501 3.13485352 3.16869341 -0.08593892 0.09452515 0.07796792 Na 6.34608171 -0.05555270 -0.05250989 0.01897742 -0.03336859 -0.04444368 Na 9.59106245 3.20160438 0.00903925 -0.05339676 0.08835991 -0.04549537 Na 9.52803398 -0.04352524 3.17211262 -0.01121948 -0.04931578 0.07381617 Na 6.30696023 3.14926380 3.22636862 0.06035559 0.13400413 0.07590830 Na 12.72453754 0.02318104 -0.05146948 -0.05333387 -0.06754897 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0.11190782 Na 12.71328854 9.46468867 3.16279941 -0.09649274 0.02134084 0.12011946 Na 0.02441234 12.72247383 -0.00128239 -0.07128373 -0.07931991 -0.07879619 Na 3.13683812 15.88030109 0.04164131 0.07821044 0.08238595 -0.09885096 Na 3.17407624 12.79015740 3.17269417 0.12055753 -0.15457929 0.11211749 Na 0.04519710 15.87123957 3.15553736 -0.09085477 0.08590947 0.07936812 Na 6.36195189 12.69362037 0.05143817 0.02650695 -0.06139053 -0.07819012 Na 9.61367006 15.95414324 -0.02717661 -0.02826012 0.03387806 -0.02750468 Na 9.48928098 12.67854071 3.24533200 0.00521270 -0.07497683 0.09604373 Na 6.30818470 15.94667724 3.18053256 0.05574109 0.06792443 0.07618804 Na 12.70955076 12.69520615 -0.04225879 -0.05732401 -0.06377588 -0.06678782 Na 15.93071663 15.96092229 0.00144607 0.03042351 0.02198459 -0.03076780 Na 15.93214534 12.68028558 3.19695838 0.08217706 -0.06521604 0.06610577 Na 12.79188049 15.85975571 3.19256784 -0.09837728 0.08053148 0.05450842 Na -0.01158362 -0.04411445 6.35569087 -0.04690562 -0.04789711 0.02324068 Na 3.16679754 3.13636030 6.33736153 0.08374229 0.13384849 0.05961415 Na 3.23669438 -0.04926567 9.56495328 0.04289294 -0.05810561 -0.02496878 Na -0.05921745 3.13937224 9.61226635 -0.04550285 0.10366984 -0.05408725 Na 6.32373754 0.01020837 6.35840362 0.04168990 -0.06045309 0.02735441 Na 9.52203248 3.16959974 6.34441060 -0.00366089 0.14239063 0.02602854 Na 9.55091526 0.04123112 9.57261807 -0.01816880 -0.04562450 -0.02423833 Na 6.36079198 3.13035992 9.57658300 0.03235522 0.15594358 -0.03194165 Na 12.69363219 -0.02296488 6.34840350 -0.07851819 -0.05027990 0.02569525 Na 15.90304741 3.19037127 6.43631673 0.05599788 0.08973495 -0.01850916 Na 15.94605102 0.04904623 9.54166381 0.04853690 -0.07903908 -0.01919888 Na 12.76663946 3.19817825 9.59055225 -0.15231314 0.12561634 -0.03716076 Na -0.05390329 6.43057683 6.36867081 -0.03768995 -0.01797304 0.01746821 Na 3.14842924 9.57319584 6.32772462 0.15068066 -0.01729800 0.02659695 Na 3.18116561 6.38033263 9.50087984 0.10072430 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-0.13817664 0.03227912 Na 9.60135048 15.96107968 6.35312139 -0.03953286 0.03573564 0.02972187 Na 9.59619267 12.72867080 9.57400115 -0.05571428 -0.11188181 -0.05792138 Na 6.31891429 15.88857310 9.61392940 0.04879452 0.04426345 -0.03706859 Na 12.75121230 12.74303148 6.32313467 -0.10913179 -0.13207446 0.04345403 Na 15.91071834 15.97426832 6.33824892 0.05800335 0.04698368 0.01916661 Na 15.94928504 12.75964798 9.54282307 0.06914638 -0.08562989 -0.03334658 Na 12.77386955 15.93837129 9.57968886 -0.09410393 0.06257566 -0.03617923 Na -0.06144821 0.01470014 12.70656670 -0.05112978 -0.07212047 -0.03298638 Na 3.13222320 3.19266825 12.75077640 0.11965974 0.09516564 -0.10618506 Na 3.20324550 -0.04222634 15.98217207 0.04362850 -0.05970701 0.04931904 Na 0.05777543 3.23311457 15.94780790 -0.07598942 0.03292313 0.07269586 Na 6.30194972 0.01380447 12.69671852 0.04135206 -0.06585017 -0.05170822 Na 9.59856168 3.19234426 12.79356991 -0.03733965 0.12601893 -0.13788570 Na 9.50652318 0.02682078 15.95881851 -0.01284091 -0.06076350 0.04467139 Na 6.35296692 3.17513646 15.93753989 0.00439418 0.09505815 0.05348679 Na 12.71632708 -0.06313284 12.73277668 -0.07118870 -0.08826963 -0.07008392 Na 15.93792898 3.12369166 12.67416107 0.07992163 0.10657957 -0.04182136 Na 15.92190184 0.04837381 15.92594891 0.04568874 -0.04679374 0.03733447 Na 12.76772503 3.12295185 15.94671941 -0.07869976 0.09346774 0.07822676 Na 0.04977789 6.37245051 12.78030105 -0.08321605 0.01345520 -0.10670286 Na 3.12523552 9.52929636 12.74111114 0.14063567 -0.00239468 -0.11566075 Na 3.14908575 6.39325306 15.98459409 0.12389785 0.01024519 0.06498547 Na 0.01766795 9.49115932 15.96513406 -0.06624152 0.00614750 0.05952712 Na 6.32388155 6.33602227 12.67604994 0.04374074 0.03138710 -0.09385889 Na 9.53483234 9.60814926 12.72121505 -0.03348236 -0.07584433 -0.11807658 Na 9.53613334 6.35103210 15.96955328 -0.01517329 0.03597733 0.03001861 Na 6.35073417 9.55401938 15.90149612 0.01887222 -0.03749189 0.04067101 Na 12.73595709 6.41059997 12.79171899 -0.11864083 0.00369486 -0.13015920 Na 15.88349297 9.57940998 12.72660559 0.08902163 -0.02266232 -0.07489594 Na 15.89926589 6.36782808 15.96573893 0.05480851 0.00303373 0.03854244 Na 12.77878661 9.60155280 15.90952174 -0.10030863 -0.02743060 0.07609871 Na -0.05900006 12.72348814 12.79665158 -0.07521744 -0.08390274 -0.09150249 Na 3.21512495 15.89259225 12.78849610 0.05902144 0.08687309 -0.07312067 Na 3.16569740 12.71740923 15.94864956 0.07427983 -0.07349427 0.09040743 Na -0.03122577 15.88172732 15.90267940 -0.03690073 0.04481813 0.04299786 Na 6.33639430 12.72556062 12.78921464 0.01643953 -0.12250776 -0.14400673 Na 9.56202912 15.88675163 12.71448578 -0.02095757 0.07479871 -0.08194734 Na 9.55773673 12.68221500 15.87192934 -0.00828027 -0.07697696 0.08308788 Na 6.45568602 15.86415916 15.96184922 0.00087102 0.05824733 0.05748026 Na 12.69529581 12.70418588 12.68838632 -0.06532416 -0.07264948 -0.06917193 Na 15.85858859 15.95325631 12.74151964 0.06723395 0.05441009 -0.04007317 Na 15.95844365 12.74130859 15.98480512 0.05377207 -0.04272265 0.04588111 Na 12.68295884 15.93505910 15.95739662 -0.05105734 0.04920012 0.05841415