108 Lattice="15.560410596133355 0.0 0.0 0.0 15.560410596133355 0.0 0.0 0.0 15.560410596133355" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.62747047330828 stress="-0.2033670322931359 -0.2557872912883298 0.03636118594180293 -0.2557872912883298 -0.2452910971593827 -0.08924901116771844 0.03636118594180293 -0.08924901116771844 -0.1514188129676508" pbc="F F F" Na 0.03366484 -0.03046823 -0.02818308 0.06123185 0.06958957 0.05992504 Na 2.62686297 2.61459635 0.02529437 0.00556246 0.01085413 -0.04487355 Na 2.55933087 0.01158587 2.60066351 0.03471591 -0.04502213 -0.00011670 Na -0.04726724 2.64519904 2.54229476 -0.03696420 -0.00262270 0.03201947 Na 5.21114283 -0.00662668 -0.04812310 -0.01895197 0.02111111 0.03292967 Na 7.81057534 2.57414922 -0.02618024 -0.01459685 0.03056297 -0.05807320 Na 7.72377860 0.03689564 2.62047515 0.04245746 -0.07909516 -0.02686380 Na 5.23354057 2.64774036 2.61709087 -0.05424870 -0.00064415 -0.01694888 Na 10.40619517 0.00238994 0.00344681 -0.04506286 0.00776180 0.01541047 Na 12.99999104 2.58007489 -0.03466012 -0.01908055 0.03001668 0.02235256 Na 12.98319113 -0.01167263 2.54830516 -0.01070005 0.02479644 0.03850922 Na 10.37052248 2.56960469 2.56525174 0.00015296 0.02150601 0.03095325 Na -0.03968709 5.21620576 -0.04527413 0.01888258 0.00801984 0.01946871 Na 2.57607865 7.78765470 -0.02718171 0.00907017 0.00436267 -0.04011501 Na 2.57432268 5.24371223 2.56181801 0.03797176 -0.03935579 0.03623812 Na 0.04011583 7.82333123 2.67332591 -0.07552232 -0.00951348 -0.03207638 Na 5.18499216 5.22571671 -0.01909931 0.00698165 -0.01389916 -0.06096079 Na 7.75954555 7.79924966 0.04865589 0.02730880 -0.01603961 -0.07798399 Na 7.76559572 5.13965863 2.59071730 0.02245132 0.03093494 0.02188585 Na 5.21559264 7.74675453 2.63651277 -0.02065652 0.02526714 0.01539424 Na 10.41481435 5.16988873 0.03528847 -0.03414561 0.00412848 -0.06428880 Na 12.93960475 7.82731932 0.05069676 0.01200591 -0.02141351 -0.00844577 Na 12.97716246 5.12157933 2.64022192 0.07226773 0.00338588 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-0.00170350 -0.03129280 Na 2.59950536 2.56299347 5.13630530 0.02051061 0.05533298 0.01169759 Na 2.57520779 0.02208228 7.81345413 0.06112670 -0.05649331 -0.01719230 Na 0.00760694 2.55480675 7.73585433 -0.05901428 0.05631107 0.03164131 Na 5.22906707 -0.02923231 5.13562951 -0.03219950 -0.04585928 0.04844452 Na 7.80311988 2.59719155 5.13977657 0.01044274 0.02325014 0.03607188 Na 7.81933344 0.04788991 7.80541676 -0.01700182 -0.05971323 -0.01559384 Na 5.17882284 2.62524250 7.75250757 -0.02273232 -0.03067365 0.01270345 Na 10.39456041 0.02973527 5.16932187 -0.02983633 -0.07017968 0.00023201 Na 12.97406809 2.54473293 5.21476815 0.05620798 0.02594035 -0.01869413 Na 12.94260860 0.01668025 7.81981110 -0.01966905 0.00367362 0.01261247 Na 10.33869852 2.66952211 7.75587693 -0.00532671 -0.02493394 0.02793620 Na 0.02972994 5.20151437 5.21015180 -0.06075272 -0.01497154 -0.00252224 Na 2.62973065 7.77587763 5.15514370 0.04248151 0.00064842 0.02039820 Na 2.54956968 5.22488058 7.83152616 0.06236115 -0.03289629 -0.06530312 Na 0.03480552 7.83109942 7.77156399 -0.08349540 0.00508737 -0.02885361 Na 5.21003358 5.15017832 5.24863360 -0.04600024 0.03930891 -0.02974774 Na 7.77070706 7.79639200 5.14360033 0.01112921 -0.01705138 0.03729588 Na 7.74999470 5.13999205 7.73103605 0.02879969 0.05551287 0.02712116 Na 5.18838009 7.82770256 7.78167675 0.02392712 -0.04945334 -0.01430616 Na 10.41483469 5.22300363 5.12892658 -0.07857039 -0.02447543 0.01844419 Na 12.96547148 7.73375946 5.15601439 0.06470336 0.02744985 0.00702601 Na 12.94401060 5.14038974 7.76480102 0.06713022 0.02043672 0.02459438 Na 10.37179763 7.77924132 7.77260815 -0.04400048 -0.02536814 -0.00970756 Na 0.01130388 10.40740699 5.16234184 -0.06257756 -0.01701753 0.00737415 Na 2.55349288 12.99342887 5.13979736 0.04934097 0.05715919 0.01393687 Na 2.64012327 10.33174435 7.69320865 -0.02609230 0.02205968 0.02590258 Na -0.00507871 12.96608218 7.77623194 0.02154077 -0.01356070 0.00491475 Na 5.23736886 10.40659168 5.22079213 -0.01371356 -0.02678914 -0.05155925 Na 7.81743716 12.94802643 5.13999419 -0.01331769 0.08284603 0.05476218 Na 7.76204016 10.39081078 7.82323122 0.00679546 -0.02998248 -0.04175882 Na 5.16310375 12.95319557 7.81669961 0.01905888 0.08811293 -0.04985956 Na 10.34241130 10.37455173 5.20443741 0.01669436 -0.03261526 0.00457624 Na 12.99039151 13.00521919 5.18183879 -0.03323420 -0.03093493 -0.00310101 Na 12.99117379 10.32083552 7.76074699 0.05263116 0.01775234 -0.02177766 Na 10.39210008 12.95477585 7.82852423 -0.01201720 0.07023872 -0.05542881 Na 0.01351269 -0.02312002 10.35345717 0.01272724 0.01792497 -0.01297924 Na 2.54839850 2.63397384 10.40311206 0.02065043 -0.00441658 -0.02875910 Na 2.60196969 -0.00776821 12.99070742 0.00275405 0.01044172 -0.02280223 Na -0.05085205 2.54762806 12.98174654 0.03265195 0.04360104 -0.03528997 Na 5.18312610 0.02774476 10.41269753 -0.01356888 -0.06700164 -0.05300965 Na 7.73223224 2.57971275 10.40254499 0.00861579 0.03655570 -0.04965803 Na 7.82757348 -0.01653306 12.94545871 -0.02150637 0.00074515 0.02221485 Na 5.13517315 2.54700723 12.96603803 0.01594896 0.05437094 0.07291462 Na 10.34459305 -0.00771612 10.42541919 0.01821924 -0.02848546 -0.04166026 Na 12.98763498 2.56671732 10.40707513 0.02448545 0.03316031 -0.01459755 Na 13.01601032 -0.03017967 12.96847933 -0.07872128 0.06863929 -0.06169158 Na 10.32506425 2.63451240 12.96593960 0.03592698 -0.01515026 0.06329043 Na 0.00414383 5.25354465 10.33858242 -0.08257185 -0.02931751 0.01249991 Na 2.60509836 7.78168411 10.32460828 0.02390709 0.03915163 0.03357219 Na 2.56380924 5.20972167 12.98272053 0.03006354 -0.00353332 0.04796587 Na 0.03806826 7.82534137 12.98802532 0.00195938 0.00794030 -0.01591201 Na 5.15065058 5.17606194 10.34252327 0.02978909 0.01860055 -0.00075906 Na 7.79213084 7.80964210 10.32408796 -0.01711714 -0.03424689 -0.00437583 Na 7.76995049 5.15521213 12.94317493 -0.03097123 0.03837156 0.06808459 Na 5.21272661 7.81807659 12.95905560 -0.01036869 -0.03159087 0.03858971 Na 10.32338518 5.15813903 10.40003168 0.01400639 0.03046635 -0.04886772 Na 12.96197204 7.82336190 10.33334622 0.04073775 -0.02837015 0.00167289 Na 12.96693752 5.23897383 12.97904165 -0.01364491 -0.00879340 -0.02242111 Na 10.38368155 7.81776776 12.96403021 -0.02768689 -0.02508888 0.03707165 Na -0.04616385 10.37047664 10.33756051 -0.00600880 -0.00566166 0.00808354 Na 2.63834241 12.92328250 10.33929436 -0.04163194 0.05322703 0.00972689 Na 2.63973883 10.36008678 13.00738173 -0.01760379 -0.00956701 0.02991906 Na 0.03345946 12.97107823 12.98330380 0.07127965 -0.07251701 -0.07127290 Na 5.13626887 10.41168416 10.35485616 0.04719043 -0.05544771 0.01214504 Na 7.81406355 12.97045783 10.34719188 -0.04122985 0.06135329 0.01995576 Na 7.80986332 10.31275287 12.98226135 -0.01547416 0.02689811 0.03186499 Na 5.18563384 12.95000989 13.00674182 0.01943301 -0.01066310 -0.01983422 Na 10.35767605 10.42234381 10.32174686 0.01008955 -0.05774946 0.02849883 Na 12.95881580 12.97452324 10.36214117 -0.00968701 -0.02843057 -0.01304952 Na 12.93616156 10.36571691 12.99066447 -0.02110165 -0.01210338 -0.03033133 Na 10.32525176 12.98042071 12.97165707 -0.01416979 -0.02571727 -0.02049998