108 Lattice="11.8396914257733 0.0 0.0 0.0 11.8396914257733 0.0 0.0 0.0 11.8396914257733" Properties=species:S:1:pos:R:3:forces:R:3 energy=-359.9772804715672 stress="-0.011218786728344489 -0.0001593597617606004 0.0002028785577177956 -0.0001593597617606004 -0.011045737413839586 -0.0008778530695736555 0.0002028785577177956 -0.0008778530695736555 -0.011242771963413606" pbc="F F F" Au 0.03286884 0.02112768 0.02962132 0.82006139 0.91572985 0.76032821 Au 2.00523289 2.00850478 0.00216625 -0.45363546 -0.55240450 -0.40245299 Au 1.95028071 0.03286722 1.94635053 -0.19688381 -0.31656389 -0.16286994 Au 0.00079760 1.96584258 1.98442399 -0.36798755 -0.53148553 -0.48872377 Au 3.97531235 0.02457695 0.01611894 -0.17137321 0.40181816 0.41605577 Au 5.93687849 1.96607928 0.00639554 -0.25855613 -0.37138891 -0.42377212 Au 5.91544145 0.02640647 1.99259070 0.07468974 -0.66728553 -0.68570180 Au 3.93385926 1.96369900 1.97665610 0.16135121 -0.15861125 -0.55969597 Au 7.96610451 0.03889664 0.02929739 -0.19231037 0.21345590 0.30171919 Au 9.84270052 1.97292989 0.03663386 -0.24074652 0.00280821 0.33444582 Au 9.88168543 0.01858973 1.93556212 -0.53420103 0.59784808 0.20018550 Au 7.88257087 1.94705373 1.94014090 0.67439885 -0.23244090 0.16860805 Au 0.01662085 3.95076978 0.02585622 0.27320906 -0.02451871 0.28758639 Au 1.95351208 5.95390814 0.01785661 -0.16672169 -0.30313326 -0.46583728 Au 1.91870916 3.90756901 1.95318349 0.26132108 0.43807805 -0.30794542 Au 0.02549064 5.92380372 2.00142947 -0.58196793 -0.05717926 -0.41954602 Au 3.99350464 3.99296721 0.00268043 -0.23291097 -0.11105744 -0.24960726 Au 5.95373590 5.96268152 0.02911420 -0.35492146 -0.18485065 -0.59501807 Au 5.92554605 3.94800520 1.99311212 -0.23261780 -0.00299395 -0.37487746 Au 3.89846695 5.94224283 2.00653275 0.36768064 -0.48152920 -0.84915685 Au 7.85499444 3.90724602 0.03040832 0.65438919 0.33766992 -0.62417945 Au 9.88397832 5.93708921 0.01041074 -0.63752681 -0.10955098 0.58070894 Au 9.83526564 3.92468075 2.00009501 0.62744446 0.10260755 -0.61044281 Au 7.88920211 5.90800309 1.93893815 0.64010748 0.25732415 -0.15910417 Au 0.02382603 7.88405677 0.01594361 0.49451405 0.34410429 0.51769181 Au 2.00527453 9.90172630 0.03941559 -0.31918502 -0.73252201 0.53032684 Au 1.93818260 7.88870448 1.97236065 -0.25905385 0.55241205 -0.58920078 Au 0.03498535 9.84541192 1.96031041 0.43219186 -0.41887171 -0.22586961 Au 3.93947326 7.90680684 0.03279391 -0.02346181 0.31163410 -0.60611712 Au 5.92580553 9.89803082 0.00236432 0.05662334 -0.70334400 0.63918448 Au 5.88068094 7.90620142 1.98248413 0.48623666 0.25504909 -0.68536473 Au 3.93753951 9.82850187 1.98019190 0.12986763 0.80876196 -0.53112151 Au 7.89661883 7.88059047 0.00820620 0.45869590 0.77563093 -0.25072109 Au 9.87169211 9.89245093 0.01099915 -1.08076067 -1.07518853 1.03145294 Au 9.83701001 7.90932316 1.96282521 0.41833786 0.38537212 -0.34420601 Au 7.88674139 9.83861041 1.99781484 0.56361728 0.46928293 -0.73726381 Au 0.01804967 0.02639971 3.98074377 0.47879309 0.34178390 -0.19229594 Au 1.98898778 1.99146256 3.96372961 -0.42260584 -0.81674075 -0.12225139 Au 1.97763197 0.00960232 5.95327885 -0.18672702 -0.63623826 -0.41222601 Au 0.03632147 1.95062115 5.91191929 -0.59142162 -0.01085981 0.14058662 Au 3.96985647 0.01208608 3.92237627 -0.29478416 -0.48401219 0.28543932 Au 5.95313528 1.93813324 3.94961994 -0.26945531 0.22345635 0.22507013 Au 5.93552709 0.01078184 5.95569544 -0.06680148 -0.65782697 -0.14581977 Au 3.94834045 1.97358650 5.95626270 0.16401579 -0.44668521 -0.74057873 Au 7.87627610 0.02565193 3.92586019 0.75216650 -0.49375856 0.18520710 Au 9.88638094 1.96890404 3.98134841 0.07706614 -0.39721964 -0.23375898 Au 9.87192017 0.00769757 5.88264372 -0.60834366 0.54328953 0.22427998 Au 7.88719041 1.97626798 5.97545838 0.55160013 -0.34885563 -0.46493698 Au 0.00868498 3.91783425 3.92468540 -0.64710347 0.10381652 0.15043595 Au 1.99454440 5.91583329 3.97978732 -0.85264805 -0.15217768 -0.71207139 Au 1.95912997 3.96818701 5.90516778 -0.28002814 -0.29697084 0.39376315 Au 0.03884186 5.93643817 5.86096964 -0.86958865 -0.10083123 0.42567669 Au 3.93181859 3.94147954 3.92554126 0.30121388 -0.12472662 0.08538762 Au 5.95684512 5.94863414 3.97169417 -0.26595448 -0.18120518 -0.37779073 Au 5.92361149 3.98438801 5.90761210 0.21309512 -0.48747817 -0.08408571 Au 3.93019480 5.93089270 5.87754191 0.20909198 -0.15974586 0.52553883 Au 7.92328875 3.95914336 3.91238258 -0.01312129 -0.46475236 0.32165830 Au 9.84221557 5.92528480 3.96915786 0.78888852 0.21728789 -0.48745071 Au 9.83715325 3.96810719 5.90949350 0.75871284 -0.29523453 0.28815808 Au 7.94420257 5.91125726 5.89937389 -0.18286838 0.39505782 0.53788144 Au 0.02169401 7.90421975 3.92864716 -0.49185987 0.56139058 0.18530487 Au 2.01197068 9.86192184 3.89730834 -0.75647381 0.51454948 0.35997772 Au 1.98120866 7.88479910 5.89687001 -0.63518968 0.87810425 0.29347966 Au 0.02688858 9.90334090 5.93386627 0.66490152 -0.75406126 -0.04245628 Au 3.91077703 7.87042250 3.91078121 0.40703204 0.76280119 0.45369345 Au 5.93525268 9.83917874 3.91972036 -0.15033831 0.68929218 0.29068899 Au 5.91578445 7.91489570 5.92326205 0.14263109 0.14168057 -0.15015745 Au 3.93910628 9.87679930 5.88399365 -0.08075979 0.35602666 0.09883871 Au 7.88407921 7.89929504 3.91729232 0.80721945 0.43138454 0.37375860 Au 9.88721868 9.87068274 3.98989187 -0.64020256 -0.70014162 -0.10674771 Au 9.89848442 7.86107262 5.95849084 0.21290291 0.66293401 -0.30421868 Au 7.91596293 9.85480782 5.93546545 0.27040344 0.31205588 -0.22687784 Au 0.01477937 0.03550782 7.85769395 0.56500573 0.54980575 0.52270908 Au 2.01175780 1.94789469 7.86398075 -1.07382674 0.14220157 1.00168548 Au 2.01198983 0.03655549 9.85169359 -0.44872395 0.60035455 -0.47374056 Au 0.02101119 1.96793697 9.88994183 0.77030015 -0.21279692 -0.90166189 Au 3.91265607 0.00939477 7.91756178 0.41396867 -0.67855154 0.34808822 Au 5.89261375 1.94095084 7.88838049 0.47865822 -0.20668898 0.69532804 Au 5.91054740 0.00129564 9.89053587 0.03619570 0.56217917 -0.64357668 Au 3.96217618 2.01218125 9.85189550 -0.07151803 -0.42392611 0.54143609 Au 7.93081119 0.00886422 7.90635568 0.19793797 -0.42294942 0.36311760 Au 9.82760403 1.99401264 7.93865102 0.66601136 -0.52183304 0.03439658 Au 9.86735362 0.00705344 9.84079632 -0.85604952 0.85888040 -0.79580540 Au 7.88937778 1.95327623 9.84784008 0.27087814 -0.32630231 0.44684340 Au 0.00461562 3.94646252 7.89911902 -0.30691905 -0.14158318 0.32665696 Au 1.93946411 5.90935052 7.92474353 0.04262840 -0.10274217 0.16059171 Au 1.94201992 3.94508324 9.86434904 -0.11446132 -0.05269372 0.23113749 Au 0.01519785 5.95922997 9.88452365 0.36423524 -0.12963695 -0.42527608 Au 3.97159996 3.92133680 7.86386779 -0.43459864 0.55230977 0.74465163 Au 5.89825129 5.90504259 7.87379381 0.36407443 0.38559557 0.45058696 Au 5.96114803 3.96290495 9.83202886 -0.15277744 -0.11233900 0.63941187 Au 3.97775790 5.93500621 9.89400029 -0.13838076 -0.24677948 0.19980791 Au 7.91416907 3.95715191 7.91900658 0.17510754 0.13855039 0.19210017 Au 9.86652117 5.96882860 7.92287546 0.38647740 -0.34501538 0.20289794 Au 9.86288975 3.97679729 9.83680725 -0.43223214 -0.01944474 -0.22512959 Au 7.89289800 5.96223207 9.87546778 0.29306748 -0.17179779 0.29920735 Au 0.02475851 7.86092743 7.88887635 -0.25095649 0.79670853 0.42527023 Au 1.97346328 9.84586578 7.89606454 -0.43225952 0.14079075 0.47554843 Au 2.01076726 7.85506007 9.86868725 -0.59553090 0.78304273 0.23190856 Au 0.02204559 9.90384263 9.88630036 1.13265358 -1.20284274 -1.14138260 Au 3.93087700 7.86420799 7.85878396 0.00295281 0.62351107 0.78062083 Au 5.88817024 9.83058031 7.85830749 0.05089182 0.57243624 0.68851253 Au 5.94026436 7.89271658 9.86604279 -0.21299303 0.50934804 0.21117365 Au 3.92839883 9.85435738 9.86890111 0.03857128 -0.63499165 -0.63393524 Au 7.89784857 7.92521452 7.90739740 0.24527746 0.07241153 0.28763837 Au 9.83738711 9.83750332 7.87897978 -0.36114018 -0.44975353 0.34675895 Au 9.85978117 7.86144231 9.85345818 -0.54999782 0.54281396 -0.42255557 Au 7.89303151 9.87576039 9.84315357 0.15409770 -0.68832744 -0.64562123