360 Lattice="12.151566964387897 0.0 0.0 0.0 12.151566964387897 0.0 0.0 0.0 81.01044642925265" Properties=species:S:1:pos:R:3:forces:R:3 energy=-858.0398407791442 stress="0.003704912985526601 8.59036910092675e-12 7.778676193871159e-07 8.59036910092675e-12 0.0037049129125143678 8.81342321396516e-07 7.778676193871159e-07 8.81342321396516e-07 -1.2837711733797793e-06" pbc="T T F" Au -0.00405928 0.00314392 19.92275849 0.00000331 0.00000412 -0.00000504 Au 1.99000853 0.01558333 22.08995387 0.00000316 0.00000381 -0.00000490 Au 0.00837951 1.99721234 22.08995379 0.00000311 0.00000376 -0.00000483 Au 1.97995820 1.98716145 19.96179468 0.00000328 0.00000406 -0.00000500 Au 0.00250368 0.00970829 24.15477670 0.00000272 0.00000353 -0.00000463 Au 1.99642065 0.01933308 26.20800269 0.00000263 0.00000291 -0.00000417 Au 0.01212744 2.00362631 26.20800265 0.00000253 0.00000278 -0.00000424 Au 1.97929038 1.98649502 24.15858175 0.00000288 0.00000334 -0.00000456 Au 0.00595794 0.01316472 28.25433045 0.00000216 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0.00000172 0.00000172 -0.00000330 Au 1.98526870 6.09660857 28.25090612 0.00000218 0.00000230 -0.00000386 Au 0.00717394 4.04429542 32.34135203 0.00000128 0.00000120 -0.00000256 Au 1.98494279 4.04255227 34.38623505 0.00000090 0.00000078 -0.00000180 Au 0.00705662 6.09475528 34.38605991 0.00000084 0.00000077 -0.00000188 Au 1.98524107 6.09628931 32.34149778 0.00000130 0.00000123 -0.00000261 Au 0.00703468 4.04417785 36.43073963 0.00000044 0.00000043 -0.00000103 Au 1.98484739 4.04249112 38.47537720 0.00000012 0.00000015 -0.00000023 Au 0.00704502 6.09485487 38.47535798 0.00000004 0.00000010 -0.00000030 Au 1.98484740 6.09649735 36.43082601 0.00000049 0.00000043 -0.00000108 Au 0.00705506 4.04417819 40.51994640 -0.00000035 -0.00000010 0.00000057 Au 1.98487717 4.04253569 42.56447781 -0.00000069 -0.00000043 0.00000138 Au 0.00706458 6.09485523 42.56456487 -0.00000073 -0.00000044 0.00000132 Au 1.98485738 6.09654196 40.51992648 -0.00000024 -0.00000018 0.00000054 Au 0.00710580 4.04427776 44.60924482 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0.00000382 Au 6.08750815 10.12446218 48.69845995 -0.00000175 -0.00000166 0.00000321 Au 4.03399350 8.14917208 52.78935676 -0.00000269 -0.00000282 0.00000425 Au 6.09223557 8.15463200 54.83409496 -0.00000311 -0.00000338 0.00000452 Au 4.03416856 10.12786028 54.83332384 -0.00000303 -0.00000326 0.00000468 Au 6.08884671 10.12550599 52.78665864 -0.00000264 -0.00000288 0.00000420 Au 4.03028581 8.15813111 56.88543868 -0.00000365 -0.00000382 0.00000485 Au 6.08771470 8.14673766 59.00831280 -0.00000425 -0.00000420 0.00000490 Au 4.03630257 10.12722510 59.03197263 -0.00000381 -0.00000375 0.00000502 Au 6.09094868 10.13140662 56.89473902 -0.00000341 -0.00000407 0.00000477 Au 8.12648004 0.02063247 19.95346547 0.00000336 0.00000416 -0.00000518 Au 10.12655126 0.00513270 22.07911390 0.00000325 0.00000384 -0.00000497 Au 8.14750588 1.98417813 22.10105700 0.00000319 0.00000380 -0.00000500 Au 10.11104578 2.00519843 19.95346480 0.00000337 0.00000413 -0.00000511 Au 8.13167612 0.01732597 24.15683282 0.00000296 0.00000335 -0.00000476 Au 10.11957648 0.01212628 26.20821462 0.00000272 0.00000291 -0.00000448 Au 8.14060755 1.99109547 26.20619627 0.00000264 0.00000280 -0.00000434 Au 10.11436586 2.00001585 24.15683233 0.00000306 0.00000329 -0.00000471 Au 8.12611396 0.02042280 28.25345307 0.00000217 0.00000241 -0.00000392 Au 10.11823666 0.01349578 30.29822797 0.00000205 0.00000182 -0.00000325 Au 8.13760794 1.99412469 30.29708686 0.00000189 0.00000159 -0.00000332 Au 10.11129353 2.00560263 28.25345264 0.00000227 0.00000222 -0.00000387 Au 8.12556613 0.02052647 32.34173156 0.00000138 0.00000124 -0.00000272 Au 10.11840159 0.01336799 34.38615411 0.00000144 0.00000099 -0.00000191 Au 8.13801232 1.99375736 34.38619588 0.00000105 0.00000061 -0.00000194 Au 10.11122382 2.00618430 32.34173099 0.00000164 0.00000096 -0.00000264 Au 8.12586974 0.02039729 36.43070037 0.00000052 0.00000049 -0.00000118 Au 10.11851143 0.01329899 38.47531119 0.00000072 0.00000047 -0.00000050 Au 8.13820325 1.99360722 38.47535296 0.00000026 -0.00000006 -0.00000034 Au 10.11139245 2.00592006 36.43069972 0.00000096 0.00000006 -0.00000113 Au 8.12593422 0.02040544 40.51997413 -0.00000040 0.00000015 0.00000044 Au 10.11850625 0.01334570 42.56464845 -0.00000020 -0.00000021 0.00000134 Au 8.13818332 1.99366860 42.56454214 -0.00000051 -0.00000062 0.00000120 Au 10.11142585 2.00589708 40.51997348 0.00000001 -0.00000037 0.00000041 Au 8.12579542 0.02049570 44.60918509 -0.00000101 -0.00000072 0.00000197 Au 10.11835528 0.01353610 46.65333011 -0.00000104 -0.00000108 0.00000277 Au 8.13783431 1.99405694 46.65369206 -0.00000134 -0.00000134 0.00000272 Au 10.11137646 2.00607666 44.60918447 -0.00000067 -0.00000106 0.00000200 Au 8.12560765 0.02065488 48.69772687 -0.00000179 -0.00000177 0.00000341 Au 10.11865093 0.01327451 50.74097480 -0.00000200 -0.00000215 0.00000381 Au 8.13834569 1.99357939 50.74303235 -0.00000216 -0.00000239 0.00000400 Au 10.11125457 2.00630150 48.69772637 -0.00000158 -0.00000196 0.00000344 Au 8.12818815 0.01945802 52.78730358 -0.00000272 -0.00000278 0.00000446 Au 10.12210556 0.00984508 54.84053004 -0.00000308 -0.00000357 0.00000490 Au 8.14531850 1.98663124 54.83672468 -0.00000289 -0.00000348 0.00000473 Au 10.11248162 2.00375067 52.78730323 -0.00000277 -0.00000287 0.00000438 Au 8.13460040 0.01573004 56.90535342 -0.00000315 -0.00000438 0.00000503 Au 10.12866981 0.00329690 59.07254909 -0.00000392 -0.00000477 0.00000512 Au 8.14465093 1.98731215 59.03351245 -0.00000328 -0.00000410 0.00000516 Au 10.11623075 1.99735763 56.90535326 -0.00000359 -0.00000394 0.00000495 Au 8.13938355 4.04409981 19.98699834 0.00000335 0.00000409 -0.00000519 Au 10.12405666 4.04086452 22.10057197 0.00000322 0.00000383 -0.00000505 Au 8.15078228 6.10152815 22.10987287 0.00000319 0.00000382 -0.00000517 Au 10.11987133 6.09551091 19.96333822 0.00000337 0.00000412 -0.00000530 Au 8.14729111 4.03957824 24.16121681 0.00000295 0.00000341 -0.00000482 Au 10.11817549 4.04296774 26.20865307 0.00000267 0.00000286 -0.00000442 Au 8.14184218 6.09782112 26.20595563 0.00000265 0.00000288 -0.00000455 Au 10.12051937 6.09764507 24.16198752 0.00000298 0.00000340 -0.00000491 Au 8.13924129 4.04231518 28.25090810 0.00000230 0.00000228 -0.00000396 Au 10.11716152 4.04430848 30.29685262 0.00000193 0.00000171 -0.00000339 Au 8.13891646 6.09621766 30.29636292 0.00000191 0.00000174 -0.00000347 Au 10.11727367 6.09493097 28.25276468 0.00000231 0.00000230 -0.00000407 Au 8.13930044 4.04267042 32.34150038 0.00000150 0.00000121 -0.00000271 Au 10.11750284 4.04422452 34.38606197 0.00000113 0.00000078 -0.00000199 Au 8.13961694 6.09642769 34.38624166 0.00000111 0.00000078 -0.00000207 Au 10.11736732 6.09466423 32.34135773 0.00000154 0.00000120 -0.00000280 Au 8.13973147 4.04250351 36.43082897 0.00000066 0.00000045 -0.00000123 Au 10.11755361 4.04416740 38.47536021 0.00000034 0.00000014 -0.00000039 Au 8.13975128 6.09653117 38.47538418 0.00000026 0.00000013 -0.00000047 Au 10.11754407 6.09482299 36.43074591 0.00000074 0.00000040 -0.00000127 Au 8.13976128 4.04250189 40.51992953 -0.00000011 -0.00000014 0.00000040 Au 10.11757400 4.04421007 42.56456704 -0.00000044 -0.00000040 0.00000119 Au 8.13976126 6.09652952 42.56448466 -0.00000052 -0.00000044 0.00000114 Au 10.11756364 6.09486565 40.51995279 -0.00000005 -0.00000014 0.00000035 Au 8.13966591 4.04260538 44.60907185 -0.00000089 -0.00000077 0.00000195 Au 10.11743477 4.04436882 46.65395495 -0.00000129 -0.00000118 0.00000268 Au 8.13936755 6.09636255 46.65381291 -0.00000131 -0.00000120 0.00000256 Au 10.11755202 6.09480851 44.60925088 -0.00000085 -0.00000078 0.00000191 Au 8.13900027 4.04281539 48.69895006 -0.00000176 -0.00000170 0.00000328 Au 10.11737284 4.04410202 50.74254739 -0.00000217 -0.00000227 0.00000389 Au 8.13933992 6.09671767 50.74440445 -0.00000218 -0.00000224 0.00000374 Au 10.11724570 6.09472450 48.69845980 -0.00000171 -0.00000170 0.00000322 Au 8.14195336 4.04121171 52.78935641 -0.00000254 -0.00000281 0.00000431 Au 10.12064110 4.04138770 54.83332375 -0.00000297 -0.00000330 0.00000465 Au 8.14741206 6.09945414 54.83409473 -0.00000286 -0.00000321 0.00000458 Au 10.11828696 6.09606511 52.78665855 -0.00000249 -0.00000278 0.00000421 Au 8.15091022 4.03750370 56.88543846 -0.00000307 -0.00000336 0.00000490 Au 10.12000635 4.04352106 59.03197237 -0.00000378 -0.00000369 0.00000510 Au 8.13951592 6.09493013 59.00831268 -0.00000318 -0.00000310 0.00000494 Au 10.12418448 6.09816774 56.89473873 -0.00000287 -0.00000358 0.00000488 Au 8.14451805 8.15172130 19.96179868 0.00000331 0.00000410 -0.00000539 Au 10.11610078 8.14167568 22.08995778 0.00000319 0.00000384 -0.00000526 Au 8.13447187 10.12330460 22.08995770 0.00000317 0.00000381 -0.00000522 Au 10.12853481 10.13573801 19.92276171 0.00000335 0.00000411 -0.00000535 Au 8.14519737 8.15240201 24.15858691 0.00000296 0.00000345 -0.00000502 Au 10.11236974 8.13528248 26.20800842 0.00000274 0.00000299 -0.00000458 Au 8.12807684 10.11957539 26.20800839 0.00000261 0.00000288 -0.00000469 Au 10.12198388 10.12918849 24.15478133 0.00000293 0.00000346 -0.00000497 Au 8.13824702 8.14545381 28.25228021 0.00000230 0.00000239 -0.00000416 Au 10.11117032 8.13273163 30.29758606 0.00000201 0.00000192 -0.00000359 Au 8.12552368 10.11837830 30.29758602 0.00000181 0.00000169 -0.00000354 Au 10.11855193 10.12575872 28.25433758 0.00000256 0.00000212 -0.00000419 Au 8.13776715 8.14497624 32.34162128 0.00000150 0.00000137 -0.00000288 Au 10.11132728 8.13295644 34.38612841 0.00000123 0.00000101 -0.00000211 Au 8.12574635 10.11853742 34.38612838 0.00000093 0.00000064 -0.00000212 Au 10.11828793 10.12549703 32.34198298 0.00000170 0.00000110 -0.00000292 Au 8.13815351 8.14536451 36.43077156 0.00000067 0.00000062 -0.00000133 Au 10.11141580 8.13313599 38.47533955 0.00000052 0.00000045 -0.00000044 Au 8.12592420 10.11862764 38.47533954 0.00000004 -0.00000008 -0.00000058 Au 10.11847637 10.12568740 36.43066497 0.00000095 0.00000024 -0.00000131 Au 8.13821325 8.14542583 40.51996080 -0.00000014 0.00000003 0.00000028 Au 10.11142234 8.13311297 42.56461325 -0.00000022 -0.00000008 0.00000102 Au 8.12589959 10.11863576 42.56461322 -0.00000068 -0.00000052 0.00000116 Au 10.11852144 10.12573408 40.52000230 0.00000049 -0.00000062 0.00000035 Au 8.13806131 8.14527560 44.60911767 -0.00000094 -0.00000061 0.00000183 Au 10.11129119 8.13284868 46.65358169 -0.00000121 -0.00000101 0.00000252 Au 8.12563339 10.11850655 46.65358167 -0.00000143 -0.00000127 0.00000256 Au 10.11845070 10.12566503 44.60915918 -0.00000066 -0.00000090 0.00000179 Au 8.13769178 8.14490820 48.69822614 -0.00000177 -0.00000158 0.00000312 Au 10.11139240 8.13343030 50.74185943 -0.00000211 -0.00000218 0.00000376 Au 8.12621274 10.11861031 50.74185941 -0.00000231 -0.00000244 0.00000361 Au 10.11832070 10.12553720 48.69708480 -0.00000171 -0.00000172 0.00000312 Au 8.14071869 8.14793746 52.78911580 -0.00000256 -0.00000282 0.00000410 Au 10.11448659 8.13901702 54.83847879 -0.00000255 -0.00000325 0.00000444 Au 8.13179738 10.12170768 54.83847885 -0.00000293 -0.00000358 0.00000456 Au 10.11968770 10.12690683 52.78709728 -0.00000218 -0.00000321 0.00000424 Au 8.14763409 8.15485467 56.89425434 -0.00000314 -0.00000379 0.00000473 Au 10.11117620 8.13383386 59.04184572 -0.00000231 -0.00000396 0.00000494 Au 8.12661364 10.11840338 59.04184588 -0.00000348 -0.00000518 0.00000486 Au 10.12667890 10.13390095 56.91619705 -0.00000293 -0.00000399 0.00000475