108 Lattice="19.105605270626256 0.0 0.0 0.0 19.105605270626256 0.0 0.0 0.0 19.105605270626256" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.61274737109226 stress="-8.479293386025877e-05 -2.602808092344956e-06 -3.050259159403931e-05 -2.602808092344956e-06 -8.53262653050878e-05 -9.227417922122933e-07 -3.050259159403931e-05 -9.227417922122933e-07 -9.53381002210529e-05" free_energy=-54.61274737109226 pbc="F F F" Na 0.02541475 0.00795888 0.03736783 -0.03787148 -0.03598326 -0.03463240 Na 3.17172322 3.20540329 0.02229230 0.08369088 0.06139207 -0.09829816 Na 3.17056868 0.02052462 3.23508527 0.06842435 -0.10511076 0.05386405 Na 0.05505819 3.22408729 3.21053047 -0.11441899 0.06288593 0.07117375 Na 6.42744498 0.03880991 0.05713401 -0.02640272 -0.07251060 -0.08214892 Na 9.56668240 3.13754951 0.05164062 -0.01876176 0.11946671 -0.09112958 Na 9.48949567 0.02546209 3.14256652 0.02499113 -0.08367444 0.12750637 Na 6.36738726 3.12099595 3.15774515 0.01630198 0.16862684 0.12721693 Na 12.72378472 0.01616190 0.03110420 -0.05685680 -0.07776184 -0.07578048 Na 15.94394355 3.14531249 0.04505591 0.07162808 0.06957734 -0.08030693 Na 15.86448769 0.03429616 3.18070048 0.08878216 -0.07580522 0.06010599 Na 12.72936676 3.23975872 3.15146184 -0.09822293 0.08506740 0.12818675 Na 0.01962275 6.38838058 0.03443115 -0.06406383 0.01722747 -0.05837432 Na 3.16401547 9.58222584 0.03224198 0.10628920 -0.02595749 -0.06987230 Na 3.16328116 6.35512127 3.17291904 0.12930109 0.02970249 0.10842294 Na 0.00850130 9.58150895 3.24281523 -0.07186831 -0.02849223 0.06872129 Na 6.36142602 6.35511452 0.01780456 0.02957427 0.02174598 -0.04468247 Na 9.58628551 9.57368594 0.05819966 -0.02720777 -0.02597105 -0.06420408 Na 9.59633074 6.36945384 3.17692677 -0.06163100 0.02459385 0.13009676 Na 6.37458900 9.50778064 3.18595207 0.02894470 -0.00755022 0.13032251 Na 12.73863625 6.35016879 0.05514032 -0.06754257 0.03596185 -0.08288803 Na 15.96950742 9.59359402 0.01028352 0.03697774 -0.02036256 -0.04172659 Na 15.96675960 6.35467526 3.19516064 0.05978817 0.02468915 0.07651084 Na 12.69785618 9.60896957 3.19350721 -0.07684149 -0.05146948 0.10794310 Na 0.04573073 12.70789104 0.00400373 -0.07712758 -0.05149444 -0.07140728 Na 3.17275495 15.97194534 0.00000667 0.07101498 0.06563470 -0.07244280 Na 3.24103533 12.77805608 3.13481238 0.09393034 -0.12317777 0.12673866 Na 0.01102162 15.92018949 3.14001280 -0.07891860 0.06486529 0.06273330 Na 6.43461276 12.77747881 0.05996954 -0.00240916 -0.10144397 -0.07641159 Na 9.55128259 15.87601163 0.01968990 -0.00748840 0.06976443 -0.04817781 Na 9.59583892 12.70789145 3.21729649 -0.05521078 -0.09425099 0.12989494 Na 6.36626740 15.90688986 3.24579058 0.03563673 0.07405863 0.07975293 Na 12.76237924 12.79694960 0.03501967 -0.07840885 -0.08952352 -0.10106528 Na 15.96322483 15.88467765 0.03125014 0.03841980 0.04668530 -0.03599993 Na 15.87029463 12.77116610 3.20825235 0.10395011 -0.09242408 0.07796744 Na 12.72431738 15.93178733 3.24319082 -0.07616763 0.10713039 0.04958747 Na 0.02341529 0.05905532 6.45584845 -0.07115364 -0.06885558 -0.00958497 Na 3.15908004 3.17374743 6.32349922 0.13063669 0.12170370 0.03162003 Na 3.17702719 0.04307812 9.56189658 0.12137063 -0.08776126 -0.01959346 Na 0.05642097 3.15967818 9.57497232 -0.08282456 0.11611719 -0.01321518 Na 6.34232287 0.03668591 6.31879510 0.03801650 -0.05638198 0.05315860 Na 9.53811914 3.22374948 6.35613888 -0.01976826 0.09869010 0.02488865 Na 9.56853808 0.04395582 9.60084799 -0.03275079 -0.04550940 -0.05762075 Na 6.30989663 3.22052423 9.48033367 0.05325942 0.09844215 0.00158934 Na 12.79863683 0.05674298 6.28310086 -0.12753577 -0.07356562 0.03623465 Na 15.92832169 3.19051071 6.41802071 0.07313199 0.08838175 -0.00427282 Na 15.90258316 0.03591871 9.59102368 0.06766657 -0.07372995 -0.02204263 Na 12.75727082 3.12717295 9.54647079 -0.13554478 0.16278155 -0.02073136 Na 0.06309967 6.35838023 6.41724845 -0.06715080 0.02541211 0.02243679 Na 3.17379590 9.49595311 6.32910576 0.13809075 0.00085945 0.04116089 Na 3.21188342 6.31772166 9.52870607 0.10974988 0.05658659 0.00193816 Na 0.00383051 9.61068365 9.59538597 -0.04972390 -0.05140866 -0.02923826 Na 6.31371526 6.35043545 6.31513208 0.05674130 0.04198243 0.03371889 Na 9.58792779 9.54135981 6.39322169 -0.05998507 -0.02627097 0.03454902 Na 9.52617643 6.32294582 9.53529887 -0.02030312 0.02263219 -0.04274351 Na 6.32663294 9.59779723 9.59601959 0.03495188 -0.04912250 -0.06340727 Na 12.71906001 6.35219551 6.33173560 -0.10812616 0.02905598 0.05045664 Na 15.90220307 9.51909290 6.32027960 0.03590999 0.00232359 0.03971063 Na 15.97464272 6.36154491 9.52185543 0.02329233 0.03676357 -0.01607947 Na 12.70656851 9.57203295 9.54948157 -0.08877085 -0.02927375 -0.04852766 Na 0.03737101 12.71469069 6.33226767 -0.06465841 -0.06619557 0.02465556 Na 3.14210618 15.94790406 6.32518828 0.08986275 0.06067216 0.04094299 Na 3.14001410 12.68411137 9.55832308 0.13790869 -0.08627868 -0.02828734 Na 0.03122129 15.90386209 9.59664938 -0.05979884 0.04708842 -0.02097269 Na 6.33588135 12.72177030 6.40320975 0.04177782 -0.12318609 0.01794798 Na 9.59982939 15.96052846 6.39146151 -0.05376247 0.03088731 0.02219304 Na 9.55157641 12.72765006 9.60722489 -0.02530859 -0.11618321 -0.05171751 Na 6.34744763 15.91018147 9.57651314 0.02258791 0.03146875 -0.03934058 Na 12.74279533 12.78891712 6.34702683 -0.10324376 -0.13416493 0.06713081 Na 15.96294450 15.95271599 6.32227848 0.05736389 0.04970383 0.02985661 Na 15.97410864 12.76248191 9.60755243 0.05049250 -0.09001816 -0.05528941 Na 12.74023786 15.96973006 9.50981080 -0.06602103 0.05208766 -0.00058959 Na 0.05080095 0.03837085 12.69849610 -0.08480440 -0.08919068 -0.05262750 Na 3.23319628 3.14130887 12.73822875 0.12124514 0.14306741 -0.09333975 Na 3.16433045 0.03047340 15.90847191 0.07115515 -0.07751944 0.07676252 Na 0.00207224 3.13960421 15.87802816 -0.07677235 0.06514682 0.07738526 Na 6.41832004 0.00858228 12.78925656 -0.00893648 -0.06781456 -0.10647998 Na 9.51742800 3.15359836 12.78091274 -0.01294234 0.16017126 -0.13879436 Na 9.55849701 0.03867566 15.87703896 -0.00917494 -0.07368530 0.07561566 Na 6.37543315 3.22912989 15.98104100 0.00156591 0.08685774 0.06081694 Na 12.76407245 0.05972115 12.71700889 -0.06989164 -0.10181973 -0.05650022 Na 15.94258727 3.23941321 12.69417241 0.07910779 0.06739435 -0.05713788 Na 15.93552411 0.00305292 15.96971477 0.03460443 -0.02881690 0.02267614 Na 12.72907083 3.13597987 15.92281955 -0.06678696 0.10697034 0.07654895 Na 0.01100994 6.33996158 12.77578583 -0.06415412 0.02687269 -0.10399918 Na 3.15846367 9.54992480 12.74444003 0.13021155 -0.04337448 -0.11560101 Na 3.12404010 6.37644882 15.93730862 0.10872568 0.01016840 0.05776736 Na 0.05277469 9.62890932 15.93352828 -0.06585829 -0.02660294 0.06476669 Na 6.41229456 6.41732553 12.70190844 -0.01293226 -0.00649107 -0.09642788 Na 9.54725870 9.43316651 12.68035308 -0.02393457 0.02432435 -0.08733184 Na 9.54334456 6.37217611 15.96538527 -0.00245711 0.02459559 0.03956876 Na 6.34280089 9.58341691 15.94304658 0.02838142 -0.04419662 0.04404226 Na 12.72378435 6.45849946 12.69579529 -0.09924116 -0.02670291 -0.09657495 Na 15.98118422 9.56757583 12.72914954 0.06249091 -0.02930009 -0.07560200 Na 15.94386203 6.29931549 15.89600316 0.03639369 0.02891812 0.05240704 Na 12.75380334 9.61212320 15.93267850 -0.08213649 -0.04299542 0.06222653 Na 0.04943842 12.72321076 12.79545500 -0.09472559 -0.04780401 -0.07963701 Na 3.23873552 15.95429267 12.68424093 0.06178024 0.07225795 -0.05645039 Na 3.23627982 12.74533979 15.91630010 0.06955843 -0.06040214 0.08825662 Na 0.04032276 15.93161880 15.96348516 -0.02657722 0.03403556 0.02784250 Na 6.41102598 12.69561456 12.79278937 0.01081489 -0.09492254 -0.13220079 Na 9.57390384 15.92333983 12.70223072 -0.02138597 0.06574927 -0.06950907 Na 9.55256849 12.73645893 15.90941085 -0.01836705 -0.08396085 0.05756397 Na 6.31841924 15.96388938 15.92926652 0.03102225 0.05182843 0.04695828 Na 12.74996483 12.69308992 12.71767516 -0.11121177 -0.08033720 -0.10083586 Na 15.95194884 15.93560721 12.72343430 0.05000219 0.07081978 -0.05133466 Na 15.90052434 12.78856568 15.91881048 0.07169472 -0.05826715 0.06758022 Na 12.70015160 15.94334953 15.93913106 -0.05306944 0.06317990 0.05346671