108 Lattice="19.162403034790437 0.0 0.0 0.0 19.162403034790437 0.0 0.0 0.0 19.162403034790437" Properties=species:S:1:pos:R:3:forces:R:3 energy=-52.248149084192036 stress="-0.00010926905988534668 1.1420612285303224e-05 -2.5901225345448754e-05 1.1420612285303224e-05 -0.00010735241472419667 1.8622986508130738e-06 -2.5901225345448754e-05 1.8622986508130738e-06 -0.0001060025593813529" free_energy=-52.248149084192036 pbc="F F F" Na 0.02559179 0.04206849 0.06184453 -0.04419980 -0.04131378 -0.04418102 Na 3.25124914 3.14794212 0.04368367 0.04810271 0.10626947 -0.09900426 Na 3.18627465 0.03707062 3.22698055 0.09527450 -0.11347159 0.07000141 Na 0.04170398 3.17998148 3.25561874 -0.10611067 0.10872118 0.04878829 Na 6.37644398 0.03588931 0.00302048 0.01599687 -0.07652506 -0.05625350 Na 9.48701124 3.21508256 0.03141147 0.02114962 0.05336394 -0.06679799 Na 9.54168988 0.00211332 3.23020042 0.00829348 -0.06584380 0.06135957 Na 6.35065044 3.14820720 3.21921426 0.03761717 0.13644323 0.12800975 Na 12.82816055 0.00875206 0.00672722 -0.08368923 -0.05327750 -0.05385061 Na 15.93769164 3.19944871 0.05940555 0.07236491 0.05544931 -0.06930547 Na 15.93148447 0.00500633 3.25296611 0.05949619 -0.05798579 0.06570590 Na 12.73770781 3.25434605 3.25277416 -0.08705682 0.05272622 0.07626515 Na 0.04166767 6.46550925 0.02471311 -0.04389887 -0.00700061 -0.04527165 Na 3.24688484 9.63243352 0.00481893 0.05984920 -0.04697618 -0.06790270 Na 3.18896287 6.35855635 3.21201300 0.11371151 0.04076039 0.09283638 Na 0.01103085 9.63029700 3.23322452 -0.06506335 -0.03902038 0.06997121 Na 6.42716208 6.37119013 0.04210995 -0.00510338 0.03706147 -0.04508005 Na 9.59851734 9.64058167 0.03311184 -0.01787804 -0.02974019 -0.05399186 Na 9.57631329 6.36228702 3.17977664 -0.04201548 0.06416565 0.14783181 Na 6.37031990 9.60430695 3.17720855 0.04176129 -0.04895288 0.15165840 Na 12.72744773 6.34920020 0.01876660 -0.07057037 0.02964329 -0.07120796 Na 15.99965724 9.56714808 0.02222209 0.04549452 -0.01850116 -0.05328028 Na 15.98471360 6.35680657 3.19723608 0.06771656 0.03783227 0.07480476 Na 12.76246868 9.62653030 3.13167595 -0.10791347 -0.04525270 0.15187719 Na 0.00362843 12.79291997 0.05284367 -0.07092031 -0.05383259 -0.07352066 Na 3.18625042 16.01891915 0.03348870 0.05984866 0.06528762 -0.07188561 Na 3.21582257 12.79956701 3.13563748 0.09049308 -0.09541708 0.14684562 Na 0.01138558 15.98963532 3.25074182 -0.06087243 0.06340293 0.06352643 Na 6.36342637 12.71539656 0.05927944 0.03111162 -0.04577711 -0.08150227 Na 9.52588197 15.91602662 0.05211595 -0.00377895 0.05601946 -0.05638095 Na 9.62073660 12.78892937 3.21114585 -0.03207323 -0.11751252 0.12312164 Na 6.36875741 15.96977276 3.22313757 0.02345095 0.06689677 0.08376486 Na 12.83112978 12.83235180 0.04184638 -0.08555448 -0.07553657 -0.10612253 Na 16.01527999 15.97707377 0.00796056 0.04185607 0.04588151 -0.04270250 Na 15.96731729 12.81224515 3.15387518 0.10016410 -0.09315911 0.08540536 Na 12.83292993 16.01003846 3.20432447 -0.09179163 0.10064240 0.05838829 Na 0.06374175 0.02216979 6.33380569 -0.06789546 -0.06528895 0.03603879 Na 3.18572257 3.22857477 6.35266907 0.12844724 0.09799711 0.05120038 Na 3.15088848 0.04036489 9.60149590 0.09270274 -0.06303212 -0.02686403 Na 0.03232569 3.19639489 9.59547064 -0.07592277 0.06497924 -0.02231180 Na 6.42123178 0.00475156 6.40388383 -0.00086281 -0.04760463 0.02631984 Na 9.60963012 3.23961831 6.34131014 -0.04362942 0.11777325 0.04119530 Na 9.58916852 0.03132328 9.58957151 -0.02504112 -0.05665413 -0.00979234 Na 6.42937846 3.18146044 9.52161040 0.00215411 0.13272934 -0.00241457 Na 12.72949870 0.01319307 6.44522354 -0.07008830 -0.06179029 -0.00871887 Na 16.01791535 3.24809961 6.43073950 0.05963453 0.04866892 0.00382636 Na 15.92239889 0.02284882 9.56097481 0.06550423 -0.06411665 -0.01738449 Na 12.74391027 3.16245057 9.58979944 -0.09147726 0.14742079 -0.02094864 Na 0.00923652 6.39743913 6.47393203 -0.06403411 0.01268931 -0.01588184 Na 3.16428826 9.52583332 6.34382056 0.13845056 -0.00085132 0.02331192 Na 3.16057197 6.35793432 9.55561387 0.15795869 0.03320849 0.00465685 Na 0.00921040 9.58726268 9.56558918 -0.04640208 -0.00923888 0.00138651 Na 6.36017445 6.40025323 6.43285013 0.04534208 0.01804566 -0.00030247 Na 9.52934786 9.57811190 6.47606534 0.02289492 -0.03732067 -0.02513208 Na 9.61370438 6.34574036 9.59991111 -0.04080967 0.04899700 -0.02756426 Na 6.35315854 9.64364306 9.46776929 0.01464847 -0.07675758 0.04588934 Na 12.83161798 6.36379003 6.32599557 -0.15434451 0.06498563 0.04862579 Na 15.96400317 9.61082025 6.37053724 0.03398967 -0.01762922 -0.00237178 Na 15.96025447 6.41075134 9.48998323 0.02598290 0.01622138 0.02224818 Na 12.75954178 9.58992063 9.59209894 -0.11735503 -0.02540223 -0.04301593 Na 0.05572457 12.73429978 6.38730846 -0.06729973 -0.06254031 0.00687175 Na 3.24820783 15.98860242 6.44889305 0.07136525 0.06632224 -0.01172719 Na 3.19785790 12.79785986 9.50102816 0.11487934 -0.13093927 0.02648543 Na 0.02611177 15.92622178 9.55373987 -0.06382302 0.05211888 0.00009714 Na 6.40631611 12.77309976 6.36954698 0.01279002 -0.10740823 0.00398926 Na 9.63549024 15.95197322 6.37402806 -0.05240213 0.04730244 0.01747985 Na 9.49464783 12.76125553 9.61467579 0.02676914 -0.10658425 -0.04326044 Na 6.37150461 15.95965763 9.61927347 0.02823362 0.04824858 -0.02743597 Na 12.80178775 12.83677374 6.36809578 -0.12825791 -0.15361295 0.03326405 Na 16.00130241 15.94676349 6.32975574 0.06273894 0.06140792 0.03215840 Na 15.98329629 12.74669544 9.53109475 0.04758043 -0.05502979 0.01234362 Na 12.71134535 15.98620299 9.51921964 -0.04334689 0.04445183 0.01863806 Na 0.00088340 0.05382119 12.83663595 -0.07937485 -0.06720873 -0.07061680 Na 3.21985434 3.22661934 12.81223271 0.11193752 0.09927639 -0.11717722 Na 3.14538350 0.03754279 15.93344814 0.08324867 -0.06785142 0.08165576 Na 0.01873648 3.21209154 16.02223755 -0.07548495 0.06189358 0.07196315 Na 6.33368482 0.01048860 12.75542348 0.03148092 -0.05711144 -0.06976798 Na 9.59920019 3.16322502 12.76314022 -0.03968661 0.12304871 -0.11002701 Na 9.64094129 0.04548696 15.91329651 -0.03354477 -0.07044185 0.05589271 Na 6.45636662 3.25734859 16.00864198 -0.00110153 0.05168682 0.06498099 Na 12.83478956 0.03006911 12.78226085 -0.08237268 -0.09677054 -0.08111632 Na 16.02366358 3.19294387 12.72119140 0.07295584 0.10619355 -0.05572381 Na 15.94127941 0.02005097 15.96510173 0.04285743 -0.03354543 0.04179796 Na 12.74943333 3.19206157 15.95693676 -0.03934736 0.08895254 0.08439306 Na 0.00001389 6.32840361 12.76383677 -0.07688538 0.03313816 -0.07519075 Na 3.14581294 9.54334335 12.75949305 0.14676879 -0.01065799 -0.13370964 Na 3.16535201 6.38421851 15.96898160 0.08751461 0.01860681 0.07449443 Na 0.05201293 9.61401545 15.95327152 -0.06631091 -0.03008519 0.06369225 Na 6.39264197 6.36155493 12.82911321 0.03534334 0.05417924 -0.16658399 Na 9.64294984 9.59389229 12.80749756 -0.08506210 -0.05898230 -0.14739021 Na 9.63002678 6.37984495 16.00233113 -0.03575664 0.03435677 0.04879613 Na 6.33614496 9.59645001 15.96041580 0.03489025 -0.02046661 0.04180872 Na 12.71767157 6.41643983 12.82798790 -0.06130452 -0.00406169 -0.14254072 Na 16.03205256 9.55641161 12.73178894 0.05415503 -0.00390236 -0.07165495 Na 15.96069631 6.48052267 15.98958562 0.04424663 -0.01277633 0.04473568 Na 12.75129090 9.61454392 15.92232044 -0.05212753 -0.02160679 0.09037099 Na 0.03838442 12.75336974 12.83259108 -0.08886675 -0.06266251 -0.11408812 Na 3.19441740 16.00137193 12.78636265 0.07740253 0.07173505 -0.08722216 Na 3.17554503 12.80237906 15.93983711 0.09735357 -0.08346332 0.08448887 Na 0.01776118 15.94052982 15.96543893 -0.04603045 0.04775249 0.04303426 Na 6.47268416 12.71629310 12.75125768 -0.03213817 -0.10238874 -0.09807597 Na 9.57953393 16.02961646 12.73705136 -0.00348461 0.06107187 -0.05776703 Na 9.63760344 12.78118887 15.93558410 -0.04562967 -0.06736973 0.08333943 Na 6.36427407 15.90991398 15.95668873 0.02576897 0.05077821 0.05036210 Na 12.72556181 12.71166542 12.81177038 -0.05517237 -0.04995445 -0.14811336 Na 15.98675117 15.96783962 12.82079313 0.04753980 0.05177367 -0.09022119 Na 15.96541943 12.83656447 16.01074554 0.07272185 -0.08911636 0.05797777 Na 12.83707851 15.93527721 15.99913664 -0.08084105 0.07874288 0.06038265