108 Lattice="11.798499937688455 0.0 0.0 0.0 11.798499937688455 0.0 0.0 0.0 11.798499937688455" Properties=species:S:1:pos:R:3:forces:R:3 energy=-362.7406477455269 stress="-0.006519942912446287 1.585963911464619e-05 -0.0006120209292305907 1.585963911464619e-05 -0.006549955327816716 -0.00026877993802769645 -0.0006120209292305907 -0.00026877993802769645 -0.0062826042784491064" pbc="F F F" Au 0.02875363 0.01331834 0.03859043 0.92424906 0.92097246 0.88214154 Au 1.99383167 2.00552051 0.02105911 -0.49303231 -0.64937549 -0.45418739 Au 1.98530203 0.00598243 1.96931059 -0.34667541 -0.28000220 -0.33094027 Au 0.02203448 1.93227971 1.97567032 -0.30885317 -0.25287124 -0.28233020 Au 3.97012300 0.01638914 0.01682989 -0.13066210 0.45945378 0.49189294 Au 5.87026772 1.98195042 0.02993894 0.19257046 -0.42496885 -0.42254774 Au 5.90418848 0.02172817 1.98575675 0.09875455 -0.43803171 -0.50816998 Au 3.90225764 1.98494096 1.93460327 0.32348637 -0.52921574 -0.26531647 Au 7.86130677 0.00204501 0.00659405 0.15802139 0.93129579 0.85419541 Au 9.85669128 1.99029080 0.02454519 -0.84744627 -0.22290659 0.77073199 Au 9.81059526 0.03922311 1.97772842 -0.59966864 0.54947855 -0.35801206 Au 7.87816263 1.97362802 2.00541066 0.29657586 -0.53708365 -0.93021170 Au 0.03139405 3.88771160 0.01954837 0.39962209 0.02319620 0.43346105 Au 1.92725034 5.92763498 0.00285046 -0.12868863 -0.04176785 -0.40500635 Au 1.94957332 3.92020528 1.97791320 -0.39122210 0.30116721 -0.36861006 Au 0.03754451 5.86927074 1.95755270 -0.58141721 0.10190651 -0.25771316 Au 3.89315538 3.96482997 0.01846061 0.11494335 0.02989358 -0.60051584 Au 5.87557483 5.92156284 0.02616552 0.33737005 -0.10557293 -0.79024990 Au 5.93749017 3.97051289 1.96559846 -0.18258716 -0.42452267 -0.42543935 Au 3.96164035 5.91063083 1.98283325 -0.55595512 -0.11286626 -0.47848844 Au 7.84489187 3.87004304 0.00277412 0.57455129 0.20421717 -0.33555790 Au 9.85644503 5.89398925 0.01408731 -0.70976633 -0.00827181 0.65031528 Au 9.83487052 3.92288382 1.99275454 0.36109671 0.02747111 -0.53978114 Au 7.87312464 5.89703940 1.96582692 0.63223025 -0.00538096 -0.62263042 Au 0.00324481 7.84069409 0.00435818 0.70495698 0.31236786 0.78838774 Au 1.95466013 9.81230241 0.01249665 -0.15623959 -0.81450945 0.81029203 Au 1.95356151 7.84026820 1.96398063 -0.25656057 0.76073740 -0.54402048 Au 0.02338344 9.84098666 1.99488989 0.74085240 -0.81899157 -0.26432952 Au 3.96796681 7.86440011 0.00129864 -0.39601528 0.41998227 -0.42786574 Au 5.89662123 9.81520046 0.02101398 0.11178647 -0.47400675 0.44625594 Au 5.86888623 7.83211834 1.96692483 0.36968811 0.77163761 -0.40176311 Au 3.95751153 9.83701599 1.93519068 -0.23717142 0.25826334 -0.20588021 Au 7.89564890 7.89003256 0.03185318 0.17978648 0.12883751 -0.42718631 Au 9.82916272 9.80253376 0.00162724 -0.85738446 -0.81059097 0.87127147 Au 9.80500352 7.91092836 1.94620391 0.50536775 0.04569733 -0.20789564 Au 7.86385707 9.79571816 1.96950499 0.25834370 0.50252184 -0.37163611 Au 0.02346532 0.02783923 3.96271774 0.55175581 0.48982115 -0.10114959 Au 2.00063334 1.99512894 3.90225049 -0.73766987 -0.75211265 0.26324728 Au 1.94404903 0.02559131 5.94601447 -0.23092213 -0.47112336 -0.21463885 Au 0.01196302 1.97318592 5.89525293 -0.37072318 -0.29780242 0.03125513 Au 3.96280390 0.01350762 3.94540799 -0.36614086 -0.69950293 -0.13183137 Au 5.86064277 1.94066680 3.94619136 0.41810835 -0.21223618 -0.27172746 Au 5.88084940 0.03087590 5.93102166 0.35352907 -0.85594079 -0.11996028 Au 3.94077900 1.96094339 5.88193050 -0.35258883 -0.33157660 0.36376449 Au 7.88982409 0.03842086 3.92268283 0.18239543 -0.63882451 0.16660184 Au 9.81417743 1.93347602 3.91714372 0.69995403 -0.23811695 0.12364420 Au 9.85962641 0.01930941 5.89225739 -0.67937216 0.58924997 0.16132625 Au 7.85708747 1.97606631 5.91505712 0.45115835 -0.62908348 0.18952060 Au 0.00425582 3.94677764 3.97487157 -0.49107766 -0.08761535 -0.21012413 Au 1.99253933 5.93162638 3.96384758 -0.54936118 -0.10960183 -0.30287481 Au 1.99447960 3.96337601 5.88499448 -0.56107228 -0.38328809 0.33659885 Au 0.02338504 5.88626046 5.94924490 -0.73322984 0.07898539 -0.09082470 Au 3.95872748 3.91589515 3.94651848 -0.23716131 0.13486494 -0.34805137 Au 5.88888544 5.87786149 3.95421611 0.31360942 0.25277289 -0.15303304 Au 5.89938518 3.97110685 5.87157789 0.19474868 -0.37566733 0.57666909 Au 3.92653335 5.91570589 5.90296011 0.15048751 -0.00679922 0.25761763 Au 7.87484279 3.90127517 3.94756445 0.32554806 0.16491795 -0.12018373 Au 9.81027101 5.88881869 3.94935416 0.63843732 0.10006856 -0.21407653 Au 9.80399228 3.90250601 5.86986044 0.71332125 -0.05286043 0.22476666 Au 7.88146889 5.92651723 5.92855128 0.29614392 -0.13326044 -0.20801576 Au 0.02701707 7.84222854 3.91966592 -0.45855340 0.42541727 0.03996718 Au 1.96659216 9.81705223 3.90208621 -0.22491486 0.24129422 0.13519347 Au 1.94446242 7.84837829 5.96379927 -0.25947266 0.95991660 -0.40918749 Au 0.00394589 9.79924652 5.88187815 0.59985899 -0.51630383 0.05025837 Au 3.96516135 7.87422679 3.95417651 -0.40059866 0.70792924 -0.14395622 Au 5.93850535 9.83268129 3.92193160 -0.13345433 0.56816597 -0.09789158 Au 5.90533746 7.87670796 5.88843823 0.18806587 0.38029124 0.30573923 Au 3.97159711 9.83225609 5.92927322 -0.28932164 0.46722971 -0.12443596 Au 7.85660759 7.83765002 3.90892791 0.55106078 0.63983434 0.07500667 Au 9.82514558 9.85145649 3.88201184 -0.61840693 -0.61804264 0.12245713 Au 9.82201917 7.85265605 5.86404200 0.36497769 0.68484587 0.19759407 Au 7.84048900 9.82879553 5.88232003 0.61875348 0.24417214 0.22681002 Au 0.00379253 0.01950788 7.87075459 0.57604766 0.68309324 0.22462564 Au 1.93481472 1.93337133 7.87105516 -0.22555424 -0.09191561 0.58112887 Au 1.95739317 0.00504245 9.79285053 -0.20429151 0.64637286 -0.62972750 Au 0.00620053 1.98983768 9.85477955 0.82588782 -0.18564354 -0.78150931 Au 3.96252793 0.00118308 7.84977452 -0.34916004 -0.47494095 0.52862891 Au 5.86608402 1.92791365 7.86191918 0.36125813 0.09120727 0.67888688 Au 5.89906348 0.02869448 9.81749630 0.00883025 0.43284870 -0.37048147 Au 3.88316737 1.94131394 9.85678081 0.05967998 -0.24776944 0.24580109 Au 7.85283238 0.01086624 7.90495950 0.50236263 -0.18792638 0.22506619 Au 9.81157169 1.95518501 7.88787683 0.22139890 -0.30789545 0.34385845 Au 9.85571672 0.02505590 9.80826042 -0.98921516 0.94352273 -0.89945367 Au 7.84118990 1.97963065 9.85768737 0.45087111 -0.30407431 0.08479861 Au 0.02599984 3.90680701 7.87938779 -0.29615187 0.00845009 0.41313393 Au 1.97989465 5.93658032 7.86383712 -0.47579230 -0.43468596 0.74162286 Au 1.98965939 3.96616502 9.86741003 -0.45758164 -0.21876741 0.15254322 Au 0.03452859 5.91796398 9.80258512 0.40786844 -0.02088363 -0.42602687 Au 3.94498735 3.90859986 7.87963362 -0.20741127 -0.02516481 0.39131276 Au 5.94601648 5.89213909 7.89449563 -0.29986148 0.16823070 0.28011469 Au 5.88743412 3.94835238 9.84129775 0.07015467 -0.35708372 0.52239200 Au 3.95181096 5.87725679 9.82450588 -0.04468791 0.18476371 0.63421826 Au 7.89180996 3.94650376 7.89668001 0.24684206 -0.47146962 0.36510364 Au 9.80521567 5.87076316 7.82797612 0.70750437 0.20104392 0.62929720 Au 9.85911960 3.94242352 9.84408150 -0.64937459 -0.08947761 -0.60422498 Au 7.85370597 5.88343758 9.81902243 0.59539495 0.21882703 0.65596585 Au 0.00854908 7.86558231 7.86848862 -0.25934353 0.58225567 0.53331338 Au 2.00144099 9.86185906 7.84751307 -0.47508847 -0.03817308 0.51998352 Au 1.98329623 7.82715363 9.85773206 -0.34545154 0.64617534 0.09167474 Au 0.01345078 9.79809550 9.86608554 1.06139524 -0.99563987 -1.03700454 Au 3.94909629 7.83089570 7.88063286 -0.00462831 0.81856482 0.60483559 Au 5.87496687 9.81670933 7.86995910 0.28177179 0.31455548 0.54720775 Au 5.89624614 7.89870562 9.86794705 0.09821260 0.34811140 0.20027647 Au 3.89142225 9.85224316 9.83833147 -0.00709885 -0.68027815 -0.63902630 Au 7.88946430 7.83533337 7.89024218 0.55023599 1.10528054 0.58604299 Au 9.84834023 9.86503937 7.83778426 -1.02773640 -1.05940274 0.23393432 Au 9.86982719 7.84590695 9.85068216 -1.00154261 0.23428314 -1.00584554 Au 7.86277078 9.84222245 9.84717183 0.27147539 -0.95457365 -0.98120282