108 Lattice="11.798492666688269 0.0 0.0 0.0 11.798492666688269 0.0 0.0 0.0 11.798492666688269" Properties=species:S:1:pos:R:3:forces:R:3 energy=-362.98503499849636 stress="-0.007807717967985553 -3.1779167892042515e-05 -6.209560116901377e-05 -3.1779167892042515e-05 -0.0074593352717440015 -0.00024261627161878757 -6.209560116901377e-05 -0.00024261627161878757 -0.007833884125076032" free_energy=-362.98503499849636 pbc="F F F" Au 0.02751857 0.03424696 0.00154170 0.89871385 0.83195471 0.90375504 Au 1.97191939 1.93697563 0.03343097 -0.30778814 -0.16268770 -0.36765519 Au 1.98403434 0.00704212 1.97993103 -0.33034498 -0.21593111 -0.26405473 Au 0.01643778 1.95264520 1.93913388 -0.20761686 -0.18465557 -0.18464862 Au 3.87981098 0.00585960 0.01232061 0.11366438 0.48609498 0.52641989 Au 5.90953813 1.94951790 0.00984762 0.11764349 -0.33446994 -0.57126041 Au 5.94056863 0.03831272 1.96978031 -0.13115653 -0.60572794 -0.39711450 Au 3.98596870 1.97617717 1.94436575 -0.45613218 -0.48787098 -0.16020500 Au 7.88186568 0.02105888 0.03495540 0.25725268 0.60044090 0.57333350 Au 9.85398044 1.95368837 0.02177790 -0.71340855 -0.10697533 0.68256259 Au 9.85397822 0.03462385 1.97495002 -0.73907966 0.66561062 -0.13908549 Au 7.89161763 1.95517343 1.93305913 0.54090077 -0.19725432 -0.14184175 Au 0.03141037 3.94698474 0.00683696 0.51153226 -0.11329117 0.49515627 Au 1.96536071 5.91450390 0.01354188 -0.25688091 0.07756144 -0.35529116 Au 1.99275927 3.93459181 1.95041198 -0.50751509 -0.32933548 -0.28589090 Au 0.01305733 5.85342550 1.98464183 -0.46868283 0.19699264 -0.49640968 Au 3.97094929 3.92277423 0.00366747 -0.22315547 -0.05887980 -0.71300695 Au 5.86849835 5.95784905 0.01880537 0.36314885 -0.15051332 -0.68677933 Au 5.92605934 3.94105566 1.93416724 0.16091922 -0.04366778 -0.19174223 Au 3.94854004 5.86539863 1.93508316 -0.21475988 0.37412491 -0.15247242 Au 7.88970926 3.94448739 0.00355879 0.25536243 -0.07932136 -0.37371873 Au 9.81025978 5.86539394 0.01762072 -0.44474399 0.17811534 0.47061309 Au 9.84475616 3.93393144 1.95799489 0.27249058 -0.17515314 -0.21100902 Au 7.89456404 5.92336751 1.98328727 0.44014884 -0.27761136 -0.66486150 Au 0.03058436 7.82932372 0.02720217 0.66382091 0.25321592 0.71529015 Au 1.99225006 9.81785458 0.03367073 -0.22118404 -0.70225661 0.73533202 Au 1.93806350 7.89981997 2.00417848 -0.13466384 0.35764914 -0.82860070 Au 0.00302029 9.81220909 1.95912188 0.73485420 -0.70099820 -0.13249580 Au 3.95087469 7.89494933 0.03705883 -0.27909648 0.35279558 -0.33893616 Au 5.87886600 9.81760884 0.03416988 0.11634087 -0.42286089 0.43507575 Au 5.92323606 7.85248393 2.00103426 -0.29250207 0.58836297 -0.76172075 Au 3.96638321 9.86934900 1.98721942 -0.15446030 0.24692498 -0.36993305 Au 7.85697243 7.88674124 0.02263591 0.37240613 0.27439333 -0.38561134 Au 9.80307890 9.84834509 0.03410627 -0.88054675 -0.86818066 0.86703056 Au 9.80117784 7.90414072 1.94541705 0.49648224 0.14457877 -0.29511687 Au 7.85525795 9.82138811 1.97644622 0.35124846 0.51986489 -0.46804124 Au 0.01510910 0.03780012 3.93081083 0.40827966 0.40335799 -0.05048986 Au 1.93991354 1.93824149 3.97160234 -0.11921090 -0.11668680 -0.52120591 Au 1.98166424 0.02748214 5.88903004 -0.36598114 -0.64457419 0.17930446 Au 0.03305892 1.97302536 5.93589521 -0.75080995 -0.43505701 0.01278576 Au 3.96501670 0.03045843 3.95656897 -0.19402232 -0.68389875 -0.34447943 Au 5.90036304 1.97485278 3.94145758 0.23268171 -0.20439329 -0.23683606 Au 5.86588968 0.01661285 5.91372797 0.36588938 -0.78382633 0.14351764 Au 3.97938856 1.95240621 5.89656628 -0.42237422 -0.12725803 0.08254635 Au 7.84181643 0.02852742 3.94627821 0.51702969 -0.51082318 -0.13624529 Au 9.83841846 1.94136969 3.95006430 0.22024029 -0.13915719 -0.11458101 Au 9.80914769 0.00946686 5.90078274 -0.44354176 0.47370846 0.04336306 Au 7.83897501 1.94419848 5.89651701 0.67428072 -0.14924113 0.22027687 Au 0.03509687 3.94909803 3.96071717 -0.62155986 -0.19437840 -0.21631961 Au 1.97121548 5.92378960 3.89145139 -0.22074436 -0.19299861 0.32907496 Au 1.92029997 3.91840578 5.92599341 0.14394763 0.27818479 -0.13199331 Au 0.00625894 5.91216784 5.92274268 -0.58203274 0.13470310 -0.04398404 Au 3.94419975 3.94394117 3.97130071 -0.24658386 -0.12153826 -0.26943823 Au 5.89981301 5.92787465 3.94628329 -0.12684660 -0.32273318 -0.29786638 Au 5.88489131 3.96656566 5.94444419 0.24354542 -0.30996787 -0.30576852 Au 3.95772774 5.93072586 5.92653219 -0.52033984 -0.30585782 -0.24081538 Au 7.84559113 3.96478117 3.95816035 0.64245708 -0.42151837 -0.27657193 Au 9.86690060 5.86218277 3.94560922 0.45361256 0.19268045 -0.18584940 Au 9.83633929 3.93888074 5.89861230 0.33910561 -0.14219600 0.19262738 Au 7.84737264 5.92004548 5.87813942 0.84957282 -0.11105245 0.33227483 Au 0.03808144 7.83437875 3.93175792 -0.57478304 0.64321425 0.08715591 Au 2.00173022 9.84678123 3.91837231 -0.60589118 0.36759274 0.07670667 Au 1.97879524 7.85905822 5.92268353 -0.66634539 0.70668260 -0.35627062 Au 0.00585021 9.86064484 5.91007164 0.69675851 -0.72565910 -0.02633959 Au 3.94123475 7.87938992 3.94537387 -0.18128415 0.40014438 -0.24130493 Au 5.93372963 9.80644765 3.93312483 -0.11738615 0.76966583 -0.00789203 Au 5.91465805 7.83571395 5.90477534 0.00463129 0.86058937 0.05727533 Au 3.94212855 9.86237381 5.86191310 0.01915273 0.43726570 0.19868490 Au 7.85235545 7.84905253 3.88822086 0.90002606 0.56814421 0.34368329 Au 9.81026126 9.82595067 3.88562064 -0.49793089 -0.51350926 0.08159508 Au 9.81289009 7.83107638 5.86197650 0.42682798 0.62395348 0.13134315 Au 7.84238085 9.81216373 5.87356091 0.70201467 0.41733203 0.12388199 Au 0.01799681 0.00884113 7.82835059 0.76722595 0.75235712 0.33092741 Au 2.00299305 1.98068286 7.83642008 -0.71203335 -0.55358595 0.96928492 Au 1.94066009 0.00935290 9.81588334 -0.14106112 0.87824138 -0.84227692 Au 0.00076382 1.96273944 9.82027045 0.92725843 -0.13542061 -0.91411797 Au 3.94488867 0.03036873 7.86570161 -0.16425911 -0.55113814 0.55517807 Au 5.89181529 1.98568023 7.88195860 0.34852285 -0.68291041 0.50597660 Au 5.91210375 0.03273497 9.83938108 0.05887607 0.50436420 -0.56480900 Au 3.94966354 1.99455928 9.81711912 -0.28676092 -0.55514669 0.57079021 Au 7.89974180 0.01078582 7.86829789 0.15272093 -0.25808578 0.33262281 Au 9.83937784 1.95754268 7.85335696 0.11269431 -0.13341311 0.36253931 Au 9.81784274 0.01128901 9.80951335 -0.85606790 0.90451974 -0.88672201 Au 7.88514248 1.94677867 9.81095582 0.37812039 -0.18124044 0.26057482 Au 0.01020466 3.96293513 7.85946364 -0.39788643 -0.18382234 0.64890130 Au 1.96416865 5.93817884 7.85141890 -0.38908295 -0.34431906 0.63389435 Au 1.98234263 3.96956801 9.84991592 -0.51239008 -0.26647281 0.17690030 Au 0.03747012 5.93491970 9.81518950 0.43975859 -0.02205193 -0.42114980 Au 3.95862621 3.92298476 7.87794963 -0.43299234 0.21777260 0.48995562 Au 5.88979944 5.90365975 7.85485238 0.17311796 0.19230292 1.01127061 Au 5.89201325 3.90720663 9.86165537 0.17955694 0.22021747 0.51407957 Au 3.88588697 5.91089414 9.85566698 0.25364237 0.02237779 0.40008157 Au 7.82708654 3.95722039 7.87802275 1.03490696 -0.18970869 0.49797648 Au 9.87029634 5.92427095 7.85570680 0.14639302 -0.10183702 0.43135231 Au 9.85313895 3.90922622 9.86308390 -0.74316096 0.00865723 -0.82246822 Au 7.89439329 5.91844842 9.79918271 0.37291277 -0.02935705 0.39526455 Au 0.03551896 7.89368814 7.90237828 -0.43665425 0.42576546 0.19119482 Au 1.99893014 9.80527825 7.83168252 -0.45691651 0.49092401 0.45828851 Au 1.99108259 7.86757346 9.82047331 -0.34634323 0.53529322 0.38700296 Au 0.02420896 9.82080962 9.84318610 0.97453845 -0.91788917 -0.95279932 Au 3.92452023 7.85805387 7.83616090 0.23398093 0.77424680 0.85948104 Au 5.93472781 9.80153571 7.82767288 -0.13300624 0.42132355 0.59428478 Au 5.90753912 7.84458308 9.83269184 0.01126882 0.50767111 0.18553546 Au 3.91596312 9.86324092 9.79281940 0.07799213 -0.69251463 -0.60401715 Au 7.89572332 7.88000269 7.84821943 0.56798927 0.41826286 0.69652014 Au 9.81903634 9.86157060 7.91983032 -0.78772209 -0.92048211 0.01022881 Au 9.83638677 7.86641009 9.86051939 -0.79530101 0.20026306 -0.88209748 Au 7.89843909 9.83813235 9.79724564 0.09456432 -0.80709719 -0.67856091