108 Lattice="11.857277029748937 0.0 0.0 0.0 11.857277029748937 0.0 0.0 0.0 11.857277029748937" Properties=species:S:1:pos:R:3:forces:R:3 energy=-374.83517337939287 stress="-3.840281649429776 0.16918252576529946 -0.4194302231612319 0.16918252576529946 -3.602057529340456 0.19274613055835488 -0.4194302231612319 0.19274613055835488 -3.522487696898213" pbc="F F F" Au -0.00282608 -0.01463362 0.00912952 1.06980381 1.05325592 1.02822764 Au 1.93878826 1.97947804 -0.03313886 -0.43529615 -0.54794374 -0.01932096 Au 1.96322921 -0.02363834 1.97714039 -0.51841024 0.09339369 -0.48953909 Au 0.00883506 2.00725474 1.93724141 -0.05661661 -0.62969789 -0.43216132 Au 3.90865277 -0.02332222 0.00916315 -0.00606698 0.64988326 0.65606064 Au 5.94845774 1.96514716 0.03861411 -0.06998190 -0.45149940 -0.39001228 Au 5.93494241 -0.01691549 1.98194723 -0.04029467 -0.07680211 -0.44506440 Au 3.91574537 2.00667811 1.94262245 0.17485036 -0.82385296 -0.34511089 Au 7.86548459 -0.01428923 -0.02648291 0.32733578 0.84573112 0.85780784 Au 9.88550488 1.98369534 -0.02567973 -0.85739818 -0.31237217 0.85852861 Au 9.89082169 0.02644365 1.99666511 -0.81336686 0.77509797 -0.38512107 Au 7.88971079 2.00920160 1.94857225 0.66912726 -0.70044715 -0.44210594 Au -0.02821622 3.96348285 -0.02016116 0.60108353 -0.02005798 0.61003149 Au 1.98153414 5.92080703 0.02374987 -0.66448761 0.07427071 -0.48871245 Au 2.01177783 3.97133329 1.95984855 -0.80432367 -0.19100247 -0.48058312 Au -0.03216111 5.88923991 2.01244057 -0.15321292 0.28727474 -0.60078166 Au 3.97895096 3.99125879 -0.00240902 -0.17472387 -0.23209988 -0.57944016 Au 5.91001975 5.89950076 -0.02768663 0.11800438 0.26839741 -0.33661341 Au 5.89802030 3.99142401 1.95240957 0.34058240 -0.15273744 -0.17509744 Au 3.92736212 5.96233926 1.97970699 0.32362452 -0.15060536 -0.46118688 Au 7.93602541 4.01509323 -0.01467070 0.38550920 -0.14302458 -0.25233264 Au 9.91682529 5.93188421 -0.03614752 -0.62939748 0.04862282 0.64021086 Au 9.87173291 3.96992935 1.93849795 0.28905520 -0.07706890 -0.35741629 Au 7.92452009 5.95681198 1.98205102 0.41669487 -0.19375605 -0.38049472 Au -0.02020034 7.89820773 0.02053373 0.90655100 0.38693405 0.88100148 Au 1.94196118 9.91311642 -0.01599204 -0.34313869 -0.98326206 0.99997189 Au 1.99992499 7.86577693 1.97083407 -1.01017621 1.03188525 -0.46231335 Au -0.01009191 9.91934285 2.00732330 0.93836223 -0.93442105 -0.36791920 Au 3.94493320 7.90005211 0.01065223 0.04478631 0.64406796 -0.37482074 Au 5.93268204 9.87976292 -0.02913630 -0.00048359 -0.68949888 0.72563664 Au 5.90861365 7.89100727 2.00225116 0.11770886 0.70156718 -0.72021219 Au 3.95169434 9.87641600 1.98815283 -0.05328503 0.20791101 -0.55583684 Au 7.86844206 7.87845662 0.03164015 0.61062983 0.67457911 -0.26634758 Au 9.91686463 9.89161715 -0.02272193 -1.15098683 -1.16426154 1.22194159 Au 9.87526125 7.92422225 1.98164164 0.17345234 0.50179367 -0.58619622 Au 7.93022100 9.85996940 1.99748268 0.42200002 0.15926437 -0.66430057 Au -0.03908451 0.00079401 3.96866386 0.70927577 0.65582257 -0.06251854 Au 1.98832715 1.98825730 3.96195186 -0.64208916 -0.46307205 -0.15655740 Au 1.98702431 -0.02852922 5.89194140 -0.59516766 -0.22677131 0.10534263 Au 0.03081722 1.94924493 5.92699407 -0.31826301 -0.33628778 -0.04672491 Au 3.96517151 0.02054615 3.98999214 -0.02755098 -0.51085567 -0.41313891 Au 5.92391009 1.99612466 3.94928995 -0.08691877 -0.45339980 -0.37895914 Au 5.93576874 0.00189674 5.94495755 -0.04016525 -0.59199874 -0.04374519 Au 3.96086822 1.92513403 5.91691318 -0.22875011 0.12597513 0.15869185 Au 7.89630990 0.00280106 3.99061209 0.39761095 -0.31048039 -0.32890985 Au 9.87584653 1.93771399 3.93732375 0.25697363 -0.27488934 -0.06644968 Au 9.85175397 0.01769841 5.94347035 -0.36080900 0.40849507 0.01421493 Au 7.86553192 1.96200491 5.90323488 0.85681084 -0.29974842 0.28610442 Au -0.02383927 3.97054839 3.88509008 -0.23886415 -0.22460702 0.26686438 Au 2.00732415 5.90876385 3.94353655 -0.77247272 0.28184074 0.15209239 Au 1.95861146 3.98944758 5.93828412 -0.25767886 -0.50915156 -0.03976348 Au 0.02133424 5.89512175 5.92917921 -0.60190109 0.16118398 -0.19677764 Au 3.95190402 3.98362609 3.94586716 0.09079321 -0.35027879 0.15584882 Au 5.91170510 5.94261112 3.93591960 0.22003791 -0.38157062 0.22063346 Au 5.92486749 3.89803422 5.95469553 -0.15789339 0.38582402 -0.28668823 Au 3.94900016 5.90146729 5.95867972 0.18136394 -0.01510345 -0.11833037 Au 7.92381607 3.93234167 3.97918948 0.22569415 0.19754987 -0.31209536 Au 9.89200990 5.88960433 3.97724667 0.29290876 0.23830563 -0.11382831 Au 9.90512755 3.96440993 5.90485518 0.29823345 -0.20467631 0.14362463 Au 7.89666334 5.91275023 5.94483815 0.41753626 0.17494634 -0.25376642 Au -0.00408018 7.93757167 3.97607826 -0.03793278 0.35916315 -0.11201186 Au 1.98631561 9.88056040 3.94694032 -0.48910214 0.12804045 -0.01436207 Au 1.98541735 7.89074359 5.96522788 -0.55031591 0.59497856 -0.56217601 Au 0.01383489 9.88796167 5.95926897 0.50322966 -0.53171622 -0.07734605 Au 3.96531267 7.89937231 3.98725247 -0.29462830 0.50489044 -0.14693495 Au 5.91585859 9.88236769 3.96867662 0.10975232 0.39095642 -0.04416310 Au 5.89072724 7.86673789 5.92772521 0.43120190 0.50098887 0.16033127 Au 3.98293474 9.85743389 5.96425277 -0.17955109 0.68536409 -0.25957228 Au 7.87039156 7.89878101 3.98467583 0.79193911 0.49328362 0.00350912 Au 9.86593010 9.86667196 3.93290048 -0.53683920 -0.56575747 0.08809771 Au 9.91321650 7.86833576 5.96077376 0.00946403 0.48434554 -0.05861836 Au 7.88386222 9.85711487 5.97883972 0.51354917 0.17041134 -0.10069279 Au -0.03533955 0.03511568 7.93967834 0.79998722 0.70286451 0.28981495 Au 1.95319728 1.95959292 7.90921517 -0.51919234 -0.48082900 0.39918863 Au 1.98359874 -0.01823661 9.89766393 -0.33626154 0.78940972 -0.77295907 Au 0.03625349 1.98489763 9.91619982 0.63248419 -0.37342632 -0.70332333 Au 3.94387738 0.03534547 7.90378331 -0.04823797 -0.53462311 0.52846536 Au 5.94048613 1.95569203 7.92737377 -0.06426382 -0.50525469 0.36468733 Au 5.95695713 -0.01944382 9.87838244 -0.00307575 0.56269678 -0.56064019 Au 3.94090095 1.99737090 9.84593679 -0.02171187 -0.58398758 0.53773997 Au 7.89988288 -0.00923256 7.87693545 0.66178263 -0.19424989 0.77888936 Au 9.86091547 1.99829120 7.90949858 0.09363087 -0.60576189 0.50034717 Au 9.88709711 -0.01739853 9.91316227 -1.17279811 1.18211459 -1.21252124 Au 7.88083157 2.00527770 9.84394042 0.72075520 -0.78455084 0.35761146 Au 0.00750395 3.98369043 7.92081570 -0.26516900 -0.10753613 0.43195435 Au 1.98390675 5.97486488 7.87402179 -0.31839207 -0.44244842 1.00990678 Au 1.96004492 3.94232056 9.87394051 -0.34394032 0.15337119 0.24050041 Au 0.03303445 5.96029990 9.91404275 0.48176577 -0.03353449 -0.52113858 Au 3.96673077 3.92771044 7.91265267 -0.31262295 0.12184847 0.28206640 Au 5.95666396 5.90382455 7.92832059 -0.56038941 0.31119431 0.13462313 Au 5.93703209 3.96988962 9.84474455 -0.16485354 -0.15904703 0.81966659 Au 3.95907799 5.91773082 9.91697425 -0.15437845 0.04424504 0.14937253 Au 7.87145050 3.99169092 7.88734643 0.84485401 -0.59954231 0.28512531 Au 9.85627956 5.89602752 7.92579747 0.49979929 0.18843127 0.26504225 Au 9.85000020 3.96563386 9.85588059 -0.32727460 -0.10459334 -0.32126524 Au 7.88149099 5.90533717 9.85066427 0.53649201 0.24528515 0.75043339 Au 0.00916421 7.86581089 7.89396640 -0.38941047 0.68158377 0.60033402 Au 1.98967554 9.85642185 7.87395989 -0.59876739 0.33650045 0.71093452 Au 1.96710074 7.91196041 9.87464519 -0.42966680 0.55558925 0.19675178 Au -0.00103728 9.84736590 9.87476086 1.03475982 -1.04587768 -1.00798079 Au 3.97542400 7.91740014 7.88968072 -0.10128521 0.21016802 0.82079768 Au 5.89870364 9.90057214 7.90004641 0.25503478 0.29649128 0.56887973 Au 5.87958615 7.91400640 9.86712815 0.15109193 0.46880721 0.42756035 Au 3.97399655 9.89546396 9.88146157 -0.06991984 -0.50345979 -0.50717868 Au 7.87896739 7.89056455 7.93830878 0.63507607 0.78283534 0.32789314 Au 9.91252887 9.86049769 7.86976620 -0.77852910 -0.74292615 0.33902835 Au 9.87080377 7.93092733 9.84673592 -0.67926153 0.38885268 -0.63994047 Au 7.91976156 9.88893816 9.90100186 0.27489237 -0.84215991 -0.85226937