360 Lattice="12.546148762106895 0.0 0.0 0.0 12.546148762106895 0.0 0.0 0.0 83.64099174737929" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1389.0598564294871 stress="0.0023822880181533805 1.5166803631212144e-10 1.3009854090186348e-06 1.5166803631212144e-10 0.0023822880315525377 1.323256200235248e-06 1.3009854090186348e-06 1.323256200235248e-06 1.224766870294621e-06" free_energy=-1389.0598564294871 pbc="T T F" Au 12.54497389 0.00603095 21.04900802 0.00000425 0.00000340 0.00000645 Au 2.08985421 0.00603431 23.03661569 0.00000427 0.00000202 0.00000650 Au 12.54497834 2.09705885 23.03661636 0.00000245 0.00000405 0.00000593 Au 2.08985056 2.09705615 21.04900844 0.00000408 0.00000345 0.00000445 Au 12.54499116 0.00604568 25.10764286 0.00000476 0.00000437 0.00000526 Au 2.08988607 0.00606266 27.19048344 0.00000522 0.00000567 0.00000465 Au 12.54501022 2.09708772 27.19048342 0.00000544 0.00000513 0.00000473 Au 2.08986733 2.09706992 25.10764271 0.00000469 0.00000475 0.00000643 Au 12.54503609 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0.00000608 0.00000301 Au 12.54507036 6.27919432 31.37046689 0.00000512 0.00000607 0.00000293 Au 2.08991247 6.27916184 29.27986668 0.00000531 0.00000574 0.00000430 Au 12.54511153 4.18821118 33.46141384 0.00000465 0.00000566 0.00000180 Au 2.09003568 4.18826064 35.55243671 0.00000375 0.00000495 0.00000113 Au 12.54515947 6.27928554 35.55243685 0.00000385 0.00000490 0.00000103 Au 2.08998749 6.27923592 33.46141344 0.00000470 0.00000568 0.00000203 Au 12.54521326 4.18831756 37.64347932 0.00000251 0.00000348 0.00000047 Au 2.09014688 4.18837952 39.73452654 0.00000080 0.00000155 -0.00000014 Au 12.54527066 6.27940432 39.73452698 0.00000091 0.00000155 -0.00000038 Au 2.09008957 6.27934253 37.64347954 0.00000235 0.00000339 0.00000033 Au 12.54532960 4.18844397 41.82557480 -0.00000094 -0.00000084 -0.00000095 Au 2.09026327 4.18850735 43.91662154 -0.00000265 -0.00000324 -0.00000174 Au 12.54538715 6.27953170 43.91662193 -0.00000259 -0.00000298 -0.00000194 Au 2.09020572 6.27946854 41.82557505 -0.00000099 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0.00000456 0.00000373 0.00000705 Au 8.36294187 0.00604585 25.10764325 0.00000456 0.00000455 0.00000553 Au 10.45398557 0.00606324 27.19048375 0.00000490 0.00000478 0.00000456 Au 8.36296092 2.09708810 27.19048358 0.00000491 0.00000498 0.00000462 Au 10.45396647 2.09707073 25.10764285 0.00000479 0.00000432 0.00000494 Au 8.36298720 0.00608776 29.27986739 0.00000508 0.00000551 0.00000377 Au 10.45404523 0.00612025 31.37046693 0.00000534 0.00000595 0.00000291 Au 8.36302046 2.09714530 31.37046677 0.00000529 0.00000575 0.00000303 Au 10.45401187 2.09711277 29.27986763 0.00000516 0.00000541 0.00000380 Au 8.36306163 0.00616132 33.46141280 0.00000485 0.00000582 0.00000244 Au 10.45413431 0.00621068 35.55243624 0.00000408 0.00000516 0.00000140 Au 8.36310953 2.09723567 35.55243617 0.00000409 0.00000505 0.00000144 Au 10.45408640 2.09718645 33.46141353 0.00000488 0.00000561 0.00000197 Au 8.36316361 0.00626756 37.64347919 0.00000256 0.00000371 0.00000055 Au 10.45424600 0.00632969 39.73452696 0.00000083 0.00000168 -0.00000035 Au 8.36322118 2.09735440 39.73452679 0.00000085 0.00000174 -0.00000026 Au 10.45418829 2.09729249 37.64347914 0.00000261 0.00000364 0.00000058 Au 8.36328011 0.00639428 41.82557528 -0.00000100 -0.00000079 -0.00000119 Au 10.45436266 0.00645777 43.91662161 -0.00000278 -0.00000322 -0.00000174 Au 8.36333744 2.09748235 43.91662147 -0.00000252 -0.00000309 -0.00000167 Au 10.45430495 2.09741910 41.82557491 -0.00000104 -0.00000079 -0.00000100 Au 8.36339123 0.00651663 46.00766225 -0.00000381 -0.00000519 -0.00000215 Au 10.45446470 0.00656829 48.09868246 -0.00000499 -0.00000657 -0.00000254 Au 8.36343942 2.09759257 48.09868281 -0.00000471 -0.00000626 -0.00000275 Au 10.45441626 2.09754139 46.00766237 -0.00000395 -0.00000518 -0.00000223 Au 8.36348096 0.00661040 50.18962596 -0.00000534 -0.00000688 -0.00000317 Au 10.45453973 0.00664300 52.28022192 -0.00000559 -0.00000657 -0.00000354 Au 8.36351473 2.09766725 52.28022240 -0.00000540 -0.00000628 -0.00000385 Au 10.45450566 2.09763497 50.18962598 -0.00000525 -0.00000676 -0.00000315 Au 8.36354092 0.00666582 54.36960269 -0.00000521 -0.00000543 -0.00000435 Au 10.45458445 0.00668121 56.45243959 -0.00000472 -0.00000439 -0.00000434 Au 8.36355963 2.09770598 56.45243974 -0.00000487 -0.00000422 -0.00000421 Au 10.45456551 2.09769079 54.36960254 -0.00000513 -0.00000553 -0.00000432 Au 8.36357244 0.00669058 58.52346336 -0.00000435 -0.00000288 -0.00000470 Au 10.45460096 0.00669328 60.51107057 -0.00000415 -0.00000255 -0.00000437 Au 8.36357606 2.09771839 60.51107058 -0.00000407 -0.00000287 -0.00000475 Au 10.45459703 2.09771570 58.52346316 -0.00000408 -0.00000319 -0.00000443 Au 8.36292464 4.18808031 21.04900810 0.00000429 0.00000328 0.00000508 Au 10.45395332 4.18808387 23.03661577 0.00000547 0.00000287 0.00000634 Au 8.36292857 6.27910855 23.03661555 0.00000432 0.00000574 0.00000657 Au 10.45395006 6.27910561 21.04900816 0.00000377 0.00000364 0.00000577 Au 8.36294174 4.18809540 25.10764235 0.00000464 0.00000429 0.00000632 Au 10.45398569 4.18811260 27.19048332 0.00000472 0.00000527 0.00000475 Au 8.36296068 6.27913703 27.19048320 0.00000507 0.00000496 0.00000478 Au 10.45396642 6.27911994 25.10764246 0.00000460 0.00000463 0.00000584 Au 8.36298678 4.18813712 29.27986729 0.00000536 0.00000570 0.00000378 Au 10.45404548 4.18816992 31.37046713 0.00000519 0.00000583 0.00000280 Au 8.36302017 6.27919405 31.37046651 0.00000547 0.00000634 0.00000318 Au 10.45401187 6.27916141 29.27986721 0.00000519 0.00000598 0.00000389 Au 8.36306118 4.18821103 33.46141324 0.00000513 0.00000575 0.00000218 Au 10.45413437 4.18826073 35.55243665 0.00000404 0.00000491 0.00000115 Au 8.36310922 6.27928526 35.55243644 0.00000429 0.00000506 0.00000127 Au 10.45408629 6.27923554 33.46141351 0.00000493 0.00000593 0.00000199 Au 8.36316327 4.18831725 37.64347931 0.00000276 0.00000368 0.00000048 Au 10.45424581 4.18837942 39.73452678 0.00000094 0.00000161 -0.00000026 Au 8.36322092 6.27940414 39.73452725 0.00000100 0.00000167 -0.00000053 Au 10.45418800 6.27934224 37.64347958 0.00000280 0.00000357 0.00000031 Au 8.36327989 4.18844359 41.82557506 -0.00000087 -0.00000060 -0.00000108 Au 10.45436226 4.18850713 43.91662168 -0.00000253 -0.00000310 -0.00000179 Au 8.36333732 6.27953177 43.91662198 -0.00000245 -0.00000301 -0.00000195 Au 10.45430460 6.27946845 41.82557537 -0.00000081 -0.00000065 -0.00000125 Au 8.36339111 4.18856586 46.00766267 -0.00000374 -0.00000501 -0.00000241 Au 10.45446414 4.18861742 48.09868301 -0.00000464 -0.00000631 -0.00000287 Au 8.36343945 6.27964251 48.09868317 -0.00000472 -0.00000651 -0.00000297 Au 10.45441598 6.27959068 46.00766290 -0.00000378 -0.00000504 -0.00000253 Au 8.36348088 4.18865968 50.18962634 -0.00000530 -0.00000673 -0.00000341 Au 10.45453921 4.18869225 52.28022190 -0.00000524 -0.00000643 -0.00000355 Au 8.36351488 6.27971762 52.28022188 -0.00000556 -0.00000679 -0.00000357 Au 10.45450555 6.27968482 50.18962593 -0.00000520 -0.00000692 -0.00000321 Au 8.36354092 4.18871571 54.36960246 -0.00000521 -0.00000554 -0.00000420 Au 10.45458426 4.18873113 56.45243944 -0.00000461 -0.00000437 -0.00000420 Au 8.36355975 6.27975614 56.45243922 -0.00000475 -0.00000453 -0.00000422 Au 10.45456555 6.27974064 54.36960178 -0.00000518 -0.00000571 -0.00000374 Au 8.36357239 4.18874075 58.52346296 -0.00000433 -0.00000380 -0.00000458 Au 10.45460037 4.18874319 60.51107086 -0.00000370 -0.00000310 -0.00000460 Au 8.36357609 6.27976790 60.51107091 -0.00000404 -0.00000293 -0.00000421 Au 10.45459702 6.27976537 58.52346320 -0.00000395 -0.00000321 -0.00000495 Au 8.36292517 8.37013061 21.04900767 0.00000392 0.00000329 0.00000799 Au 10.45395348 8.37013359 23.03661652 0.00000251 0.00000359 0.00000593 Au 8.36292875 10.46115845 23.03661673 0.00000409 0.00000212 0.00000566 Au 10.45394939 10.46115505 21.04900801 0.00000399 0.00000333 0.00000574 Au 8.36294168 8.37014472 25.10764284 0.00000470 0.00000449 0.00000449 Au 10.45398549 8.37016165 27.19048335 0.00000539 0.00000547 0.00000473 Au 8.36296096 10.46118674 27.19048361 0.00000491 0.00000557 0.00000465 Au 10.45396642 10.46116968 25.10764324 0.00000471 0.00000439 0.00000549 Au 8.36298694 8.37018603 29.27986700 0.00000524 0.00000613 0.00000424 Au 10.45404522 8.37021855 31.37046664 0.00000525 0.00000644 0.00000308 Au 8.36302064 10.46124374 31.37046630 0.00000517 0.00000615 0.00000328 Au 10.45401164 10.46121112 29.27986735 0.00000531 0.00000594 0.00000379 Au 8.36306132 8.37026004 33.46141279 0.00000505 0.00000610 0.00000238 Au 10.45413410 8.37030980 35.55243652 0.00000424 0.00000522 0.00000122 Au 8.36310962 10.46133464 35.55243602 0.00000404 0.00000519 0.00000152 Au 10.45408611 10.46128479 33.46141306 0.00000505 0.00000612 0.00000226 Au 8.36316331 8.37036698 37.64347962 0.00000274 0.00000360 0.00000030 Au 10.45424566 8.37042891 39.73452742 0.00000104 0.00000167 -0.00000062 Au 8.36322120 10.46145384 39.73452744 0.00000084 0.00000156 -0.00000062 Au 10.45418806 10.46139146 37.64347946 0.00000276 0.00000377 0.00000039 Au 8.36327991 8.37049339 41.82557573 -0.00000088 -0.00000074 -0.00000144 Au 10.45436233 8.37055654 43.91662212 -0.00000257 -0.00000300 -0.00000203 Au 8.36333748 10.46158170 43.91662192 -0.00000254 -0.00000321 -0.00000190 Au 10.45430490 10.46151811 41.82557558 -0.00000100 -0.00000070 -0.00000136 Au 8.36339119 8.37061581 46.00766278 -0.00000380 -0.00000523 -0.00000245 Au 10.45446451 8.37066746 48.09868282 -0.00000488 -0.00000659 -0.00000274 Au 8.36343955 10.46169247 48.09868261 -0.00000478 -0.00000670 -0.00000263 Au 10.45441648 10.46164061 46.00766247 -0.00000409 -0.00000521 -0.00000227 Au 8.36348106 8.37071023 50.18962591 -0.00000538 -0.00000730 -0.00000322 Au 10.45453970 8.37074252 52.28022140 -0.00000554 -0.00000682 -0.00000336 Au 8.36351493 10.46176728 52.28022183 -0.00000560 -0.00000675 -0.00000355 Au 10.45450614 10.46173491 50.18962559 -0.00000558 -0.00000724 -0.00000299 Au 8.36354108 8.37076574 54.36960194 -0.00000543 -0.00000591 -0.00000380 Au 10.45458452 8.37078051 56.45243907 -0.00000488 -0.00000437 -0.00000390 Au 8.36355972 10.46180512 56.45243960 -0.00000472 -0.00000439 -0.00000425 Au 10.45456591 10.46179022 54.36960202 -0.00000534 -0.00000563 -0.00000387 Au 8.36357246 8.37078991 58.52346330 -0.00000403 -0.00000292 -0.00000510 Au 10.45460088 8.37079264 60.51107098 -0.00000405 -0.00000281 -0.00000458 Au 8.36357627 10.46181722 60.51107075 -0.00000415 -0.00000267 -0.00000449 Au 10.45459729 10.46181453 58.52346309 -0.00000450 -0.00000320 -0.00000485