108 Lattice="15.005028625814578 0.0 0.0 0.0 15.005028625814578 0.0 0.0 0.0 15.005028625814578" Properties=species:S:1:pos:R:3:forces:R:3 energy=-372.1071150202859 stress="-2.395356066356326 0.3507165259009577 0.1962041758482158 0.3507165259009577 -2.471781060253834 -0.44573464043114397 0.1962041758482158 -0.44573464043114397 -2.48356905350085" pbc="F F F" Tb 0.00489593 -0.00740063 -0.00168519 0.26017713 0.30156182 0.30641892 Tb 2.47059888 2.49652262 0.04260868 0.09766664 0.04772689 -0.24852901 Tb 2.51694587 0.03000782 2.46309444 -0.06924463 -0.20054337 0.21251563 Tb -0.00040114 2.52919444 2.54311067 -0.17664047 -0.08546053 -0.05454167 Tb 5.00634078 0.00904788 0.07190660 -0.04316526 -0.01143374 -0.08248438 Tb 7.47325272 2.48230846 -0.03401535 0.19852466 0.14199848 -0.10711686 Tb 7.46927032 0.02321919 2.52809251 0.20112318 -0.28546244 -0.05774134 Tb 5.03790242 2.47985059 2.45539404 -0.17292234 0.14566745 0.19014410 Tb 10.04785610 0.00237223 -0.03949918 -0.18764853 0.19728293 0.22671388 Tb 12.46003939 2.57086454 -0.02238612 -0.09305022 -0.03649286 0.09794622 Tb 12.42972524 0.02948200 2.54134799 0.01960392 0.07845832 -0.06703392 Tb 10.01892618 2.52197981 2.53065832 -0.14978045 -0.04125828 -0.19938954 Tb 0.06767402 5.00679628 0.03642104 -0.01031820 -0.04342387 0.01262850 Tb 2.45840433 7.54471627 0.00309086 0.22811927 -0.09133058 -0.20616635 Tb 2.51571218 5.01047705 2.53121472 0.04770990 -0.10254418 -0.06265483 Tb 0.04093728 7.49612222 2.47415713 -0.31267351 0.05586832 0.12413887 Tb 5.00065618 5.03155613 -0.00772375 -0.09800487 -0.04080520 -0.18966066 Tb 7.46705931 7.50719767 -0.04583392 0.10371308 0.03803105 -0.11050678 Tb 7.47374780 5.04142962 2.52560878 0.13110618 -0.15158947 -0.08622556 Tb 4.99211550 7.49477083 2.54637190 -0.00619875 0.05060167 -0.13929330 Tb 10.00720982 5.04622905 0.04910995 -0.20092878 -0.07969610 -0.25903145 Tb 12.47371205 7.49985586 0.01135173 -0.05836329 0.11502759 0.08970959 Tb 12.50379706 4.95984203 2.46179414 0.26844372 0.15387097 0.17041605 Tb 10.02953397 7.53266037 2.52152015 -0.04650496 -0.05993121 -0.13602364 Tb 0.08638482 10.01782002 0.03548629 -0.05391668 -0.05435251 0.03819090 Tb 2.45592551 12.51338092 0.01051571 0.18334207 -0.06112248 0.11002911 Tb 2.51675065 10.05209096 2.50875445 -0.04920368 -0.07299866 -0.02583174 Tb 0.02217034 12.50085292 2.54160417 0.03761837 -0.05845326 0.05162014 Tb 4.95871168 9.98756876 0.04632965 0.04883296 0.02336937 -0.26040164 Tb 7.53594712 12.47744272 0.02527827 -0.08078146 0.00701092 0.02372397 Tb 7.53305578 10.01444378 2.46020655 -0.17671053 -0.09159806 0.16539099 Tb 5.00871781 12.52044928 2.50504303 -0.02482580 0.20001240 0.06452084 Tb 9.95618688 10.04942239 0.03931713 0.19968529 -0.15153440 -0.25477871 Tb 12.53433954 12.49412213 0.00157697 -0.32642794 -0.28811210 0.31454090 Tb 12.52687290 10.04393588 2.53809752 0.18780216 -0.06599996 -0.14262685 Tb 9.98751445 12.47599981 2.54530881 0.08676326 0.29170190 -0.03450394 Tb 0.00365538 0.02330185 5.02696007 0.10247080 0.07350746 -0.05273403 Tb 2.49338435 2.50032887 5.05063666 0.01339191 -0.07838224 -0.22043130 Tb 2.53055026 -0.01820467 7.48475822 -0.10108197 -0.24517019 0.09986436 Tb -0.03311903 2.50835127 7.53723917 -0.19377049 -0.00048765 -0.09856471 Tb 4.99196481 -0.01840284 5.04477442 -0.03386153 -0.21163680 -0.16276078 Tb 7.50484554 2.46107670 4.96625639 0.02492790 0.24425529 0.19551636 Tb 7.51999440 0.02114031 7.48309328 0.05945706 -0.20613544 0.13163402 Tb 4.96223897 2.46671280 7.50605519 0.21296613 0.13014147 0.04124407 Tb 10.02906968 0.00945537 4.96512527 -0.10650789 -0.19885477 0.12867424 Tb 12.54876208 2.51323670 4.97577609 0.17784521 0.04500986 0.09270079 Tb 12.45587221 0.02894252 7.54342248 -0.00517321 0.05235946 -0.05799915 Tb 10.04731383 2.53447446 7.50402541 -0.17461702 -0.02768084 0.00243258 Tb -0.00769070 4.98631535 4.97978057 -0.24161183 0.02334361 0.05039123 Tb 2.46025822 7.53052399 4.99149723 0.09475400 -0.12751201 0.06970257 Tb 2.51331632 4.97876274 7.47617091 -0.08133194 0.08329145 0.09010154 Tb -0.03959783 7.45967959 7.49797098 -0.17669733 0.03946765 0.04246238 Tb 4.98465802 4.97222359 4.99064572 0.08221016 0.04589892 0.06089876 Tb 7.54329362 7.51911004 4.98138401 -0.17268343 0.01597227 0.02653557 Tb 7.50274229 5.04678859 7.53194148 -0.01628526 -0.32120098 -0.22503442 Tb 4.98229847 7.50045686 7.49582252 -0.05896959 0.09412032 -0.07742784 Tb 10.04526869 5.02576609 4.99585951 -0.16211832 -0.11363572 -0.05902587 Tb 12.51220621 7.55209376 5.00960745 0.32338653 -0.13598949 -0.09490897 Tb 12.46836833 5.03888103 7.48105391 0.29502100 -0.04657873 0.15623385 Tb 9.95393833 7.49095894 7.46825516 0.21907226 0.06775274 0.20782355 Tb 0.04547179 9.99241932 5.00151432 -0.38633816 -0.04059501 -0.01117977 Tb 2.45683819 12.48715986 5.02072347 0.18550460 0.30130623 -0.02897787 Tb 2.46074105 10.01691173 7.49297529 0.09270050 -0.09526962 0.15656590 Tb -0.00480340 12.52720887 7.50475527 0.08450371 -0.07723920 0.04178960 Tb 4.95907894 9.96408855 4.96049320 0.16975113 0.13422533 0.14751315 Tb 7.50646923 12.46925436 5.00407944 -0.03270132 0.16351795 0.08628378 Tb 7.52102677 9.95689559 7.54298928 -0.09606205 0.15321156 -0.22605802 Tb 4.95276847 12.47421870 7.51387296 0.10124081 0.19578348 -0.11544398 Tb 10.04972701 9.97251093 4.98158163 -0.16700236 0.19257582 0.11816010 Tb 12.51457540 12.49130586 5.01054615 -0.10116859 -0.06442406 0.05296213 Tb 12.47475391 9.95583992 7.50469496 0.22048160 0.11048320 0.11624247 Tb 9.99501005 12.51928329 7.53512399 -0.01181121 0.14531865 -0.10782853 Tb -0.02755117 -0.00050823 9.98348428 0.14204877 0.12283069 -0.05233796 Tb 2.45646554 2.46443879 9.96947086 0.07097129 0.07885102 0.12806903 Tb 2.48076604 0.03438439 12.50372342 0.01446741 0.08316340 -0.08870555 Tb -0.02872739 2.53791423 12.51365933 0.17591907 0.03627913 -0.15091937 Tb 4.96862582 0.00279799 10.04914010 0.06094372 -0.23819443 -0.15856676 Tb 7.47440980 2.50088114 10.02277395 0.09917840 -0.10869223 -0.07051823 Tb 7.45461504 -0.04262885 12.53729713 0.11472351 0.20978536 -0.17495829 Tb 4.95423309 2.48248618 12.49592514 0.05980686 0.10490326 0.18631216 Tb 10.05075152 0.03338377 10.02572995 -0.25294603 -0.17556045 -0.00371353 Tb 12.50005649 2.49890056 10.04659207 0.17947322 0.14264907 -0.07988596 Tb 12.46417613 -0.01458481 12.49304871 -0.21717663 0.25617248 -0.20513798 Tb 10.01282547 2.52076305 12.53531424 -0.10584339 -0.10818525 0.14424962 Tb -0.01155157 4.94397917 10.00019032 -0.19279801 0.11457190 -0.00866127 Tb 2.45200234 7.48192000 10.00314782 0.04546871 0.08561351 -0.08474604 Tb 2.55020955 4.99864236 12.46710661 -0.12515410 -0.01102978 0.21393275 Tb -0.04208535 7.54886747 12.45750690 0.16113400 -0.04567736 -0.09691252 Tb 5.00693053 5.03514301 9.95368198 -0.10985887 -0.18277723 0.13271919 Tb 7.48425022 7.48773124 9.97167050 0.06231669 0.07324045 0.17005593 Tb 7.52355459 4.95477500 12.46695155 -0.16425906 0.13401384 0.32282753 Tb 4.95186987 7.53710684 12.49739654 0.10435374 -0.14005251 0.23136911 Tb 9.96202128 5.03646458 10.03677018 0.23491228 -0.08708703 -0.06012871 Tb 12.53817763 7.52020441 10.03104122 0.02357008 -0.02214495 -0.00937510 Tb 12.48094140 4.95196618 12.54694753 -0.11668228 0.12049684 -0.13531806 Tb 9.97216237 7.53592851 12.53316357 0.09526399 -0.03618279 0.12547937 Tb -0.01150546 10.01873991 9.95917970 -0.13018977 0.03467344 0.06966571 Tb 2.54235335 12.53153917 10.00937275 -0.12401522 0.11151863 0.02278283 Tb 2.54371413 10.01106414 12.46950963 -0.19481200 0.00055024 0.17752351 Tb -0.02136641 12.47882142 12.55143286 0.34580149 -0.33648883 -0.35887581 Tb 5.02694285 9.99825469 10.01798158 -0.18138414 -0.04249039 -0.14042593 Tb 7.46145553 12.50945546 9.95560213 0.05969611 0.22306904 0.06953463 Tb 7.48712563 9.93351444 12.48210983 0.07541524 0.12965091 0.23677461 Tb 5.03053121 12.44036390 12.51473515 0.00454719 -0.00868221 -0.04794944 Tb 9.98370702 10.05102290 10.00452585 0.16891692 -0.13921845 0.11239735 Tb 12.49541677 12.55357375 10.01350674 -0.13021828 -0.22320709 -0.10085256 Tb 12.52455017 10.02940573 12.54829898 -0.22606295 -0.07858640 -0.23213735 Tb 9.98736741 12.52440314 12.48760836 -0.13034123 -0.17257264 -0.13503113