108 Lattice="15.560411675485101 0.0 0.0 0.0 15.560411675485101 0.0 0.0 0.0 15.560411675485101" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.5971846320104 stress="-0.0005400860836069661 -3.6054599834190026e-05 -1.4345507410245605e-05 -3.6054599834190026e-05 -0.0005294074679125758 6.838236053015027e-06 -1.4345507410245605e-05 6.838236053015027e-06 -0.0005227784605355552" pbc="F F F" Na 0.04731724 0.04327608 0.04416377 0.03006100 0.05057064 0.04835387 Na 2.59440541 2.58781726 0.04502090 0.03991179 0.03269743 -0.07315811 Na 2.58421300 0.03245538 2.57657518 0.04659137 -0.06358134 0.04043538 Na 0.04029404 2.67084073 2.64414763 -0.09709843 -0.02349673 -0.02588521 Na 5.17836325 0.02582611 0.05107806 -0.00233235 -0.00779764 -0.02139557 Na 7.73316908 2.66503509 0.03205995 0.02143886 -0.00271048 -0.07323843 Na 7.74665481 0.02546399 2.57586661 0.03137026 -0.06507849 0.04292625 Na 5.22035873 2.61354021 2.60316107 -0.02757333 0.03208547 0.03828684 Na 10.33652408 0.00552027 0.00275060 -0.02699193 0.04533524 0.02239168 Na 12.99290372 2.61888905 0.02161149 -0.01176741 0.00934459 0.00471889 Na 12.96962399 0.01128390 2.54829918 -0.02361082 0.01853327 0.04619191 Na 10.40632954 2.62253977 2.62523698 -0.03882241 -0.03758066 -0.01423939 Na 0.03846957 5.15146840 0.02157292 -0.00902544 0.01206752 -0.00737208 Na 2.58123426 7.77186980 0.05169681 0.02377483 0.03156209 -0.07197125 Na 2.59200262 5.15635503 2.61170449 0.04510371 0.03170094 0.01390088 Na 0.04878652 7.79729874 2.60457594 -0.08097214 -0.02467776 0.02305504 Na 5.13636324 5.24268797 0.01904345 0.01307820 -0.02705811 -0.06645541 Na 7.78789670 7.75790850 0.05065853 -0.00029100 0.00881302 -0.05749515 Na 7.81121505 5.15990554 2.61426306 -0.02480673 0.03513453 0.02183061 Na 5.13641882 7.73727503 2.61757333 0.03839563 0.05677087 0.03180968 Na 10.40534253 5.12957492 0.00457329 -0.03106081 0.02220098 -0.06366662 Na 12.95307198 7.77799473 0.06296077 0.01352068 -0.01109462 -0.00343832 Na 12.95784636 5.15604305 2.62039920 0.08099733 0.01036843 0.02738102 Na 10.37697577 7.73896993 2.60101437 -0.02394577 0.00971781 0.03635958 Na 0.01070356 10.35493474 0.01937143 0.02598744 -0.00989215 0.02179287 Na 2.60518168 12.99448165 0.02386813 0.01250100 -0.03149846 0.01793741 Na 2.59652020 10.38167598 2.67757094 0.05572765 -0.04079058 -0.03471723 Na 0.05093847 12.92538823 2.65378290 -0.00874463 0.01736210 -0.01298313 Na 5.20714212 10.41068389 0.02230023 -0.00957867 -0.05338325 -0.03645167 Na 7.86045570 12.91389025 0.01537132 -0.01507414 0.00539502 0.01202782 Na 7.84244867 10.36720155 2.64726286 -0.03010823 -0.03202655 -0.01416905 Na 5.14391393 12.93161893 2.61783022 0.01582471 0.07321688 0.01174995 Na 10.42038611 10.34727538 0.04391448 -0.03009599 -0.01665202 -0.06733485 Na 12.98176283 12.97898390 0.03161961 -0.04938867 -0.05310529 0.04185397 Na 12.96102578 10.39768508 2.61293429 0.05866009 -0.02138221 0.02445816 Na 10.42260238 12.98144780 2.57262234 -0.02663800 0.05415571 0.05360586 Na 0.05629325 0.07064285 5.12008570 -0.01833382 -0.00894453 0.01267333 Na 2.62271009 2.65817687 5.13039153 0.04138887 -0.01538575 0.03189962 Na 2.57319023 0.04976465 7.73646828 0.02375621 -0.07376073 0.02279916 Na 0.03142311 2.57618201 7.81719207 -0.06526009 0.04120644 -0.02947301 Na 5.14844754 0.00529327 5.22457619 0.01641858 -0.06246274 -0.03026343 Na 7.80659474 2.57159712 5.14378108 -0.04206760 0.04519526 0.02360779 Na 7.84732342 0.04573835 7.73742532 -0.04040249 -0.08529325 0.03268815 Na 5.15292764 2.59133807 7.74794872 0.03732316 0.04414366 0.00417084 Na 10.38554433 0.00878780 5.22390858 -0.01671150 -0.08505345 -0.06677981 Na 12.93099036 2.57237975 5.22435976 0.08793475 0.02761635 -0.02431840 Na 12.96737595 0.00985492 7.73876789 -0.00125072 0.00012759 0.03588943 Na 10.33308711 2.58370774 7.73114967 -0.01270885 0.06524179 0.05212262 Na 0.02616245 5.14486845 5.17405878 -0.09572179 0.04091618 0.03599916 Na 2.57715579 7.74596604 5.19668247 0.05964230 0.02073540 0.01744649 Na 2.59494740 5.15913236 7.73336262 0.03870263 0.02367850 0.04586718 Na 0.01198845 7.85885322 7.77466221 -0.06459590 -0.03041740 0.00834309 Na 5.21639777 5.22884332 5.18370167 0.00376221 -0.02434562 0.00063438 Na 7.76589856 7.81995834 5.17204887 0.00868865 -0.03363436 -0.00690704 Na 7.72873916 5.21608636 7.76222130 0.04568052 -0.02574911 0.01199854 Na 5.22790399 7.77713782 7.80680694 -0.05537553 -0.00359111 -0.00930347 Na 10.36004987 5.15357097 5.16508087 -0.02398783 0.04592115 0.04758354 Na 12.94956768 7.81618323 5.16087829 0.07032300 -0.03145768 0.01739534 Na 12.98243481 5.14849100 7.79914420 0.03874010 0.02918954 -0.02745629 Na 10.35709909 7.79443045 7.74853477 -0.02697988 -0.04576917 0.02995472 Na 0.02280530 10.38942694 5.14324789 -0.09811024 -0.04911746 0.03347325 Na 2.54624194 12.92935442 5.23526257 0.05907520 0.10770547 -0.00648720 Na 2.61621880 10.39882771 7.73362169 0.04156229 -0.05460584 0.05451563 Na 0.01034211 12.91209172 7.81232033 -0.01818657 0.00748262 0.00118223 Na 5.23274329 10.42312189 5.23283154 -0.04298485 -0.09044183 -0.03328412 Na 7.75910399 12.94985649 5.13683590 0.05090868 0.08338962 0.01320547 Na 7.75117968 10.35683712 7.76169954 0.04803046 0.01091360 0.02439546 Na 5.22100707 13.01697529 7.73673694 -0.02216217 0.06448301 0.03608863 Na 10.38927266 10.35581294 5.23763467 -0.04205374 0.01217932 -0.03332516 Na 12.96204232 12.94645895 5.23049474 0.00565597 0.01278029 -0.02350808 Na 12.95032070 10.40762105 7.76996054 0.07261431 -0.04881471 0.02382664 Na 10.38899002 13.01874823 7.77599223 -0.05945836 0.04215637 0.01479508 Na 0.00606387 0.06388666 10.36649554 0.01102200 -0.01052031 -0.01656091 Na 2.64086416 2.57129197 10.39123824 0.01458720 0.04094461 -0.05141075 Na 2.59230318 0.06025232 12.97838407 0.04861973 -0.00534292 -0.01048699 Na 0.04403743 2.57473553 12.96835288 -0.00834396 0.03871613 0.00302241 Na 5.22180928 0.01363059 10.36082929 -0.02072440 -0.07571278 -0.03045245 Na 7.73208406 2.56733027 10.37829822 0.03915934 0.04102170 -0.06874577 Na 7.81936875 0.02858095 12.93956990 -0.02128526 -0.00650052 0.01754945 Na 5.18498937 2.66623089 12.91660763 -0.00096339 -0.04663684 0.10591010 Na 10.41411783 0.04914688 10.41252039 -0.02392805 -0.07100007 -0.06268569 Na 12.93341754 2.63357085 10.35447713 0.07762704 -0.03227770 -0.03841489 Na 12.96728553 0.04042659 12.99224140 -0.03962529 0.05568971 -0.05107553 Na 10.38044631 2.55340596 12.95458274 -0.02694674 0.04134328 0.08286364 Na 0.04537838 5.13881069 10.40395969 -0.07098384 0.01037271 -0.04625475 Na 2.54622707 7.74287393 10.37963042 0.08178848 0.01637000 -0.05256115 Na 2.60811397 5.15032543 12.96707228 0.02250041 0.02748506 0.07192952 Na 0.04255737 7.79138157 12.96258437 -0.01701214 -0.00971906 0.01065205 Na 5.22724284 5.17715342 10.39636015 -0.03415386 0.03503482 -0.07438258 Na 7.78272367 7.82951865 10.41025208 0.03282205 -0.05677755 -0.06523027 Na 7.77051761 5.11425177 12.96552687 0.03246192 0.04225030 0.07384577 Na 5.22631856 7.79342271 12.94949797 -0.03736241 -0.00923659 0.06579818 Na 10.35658096 5.12861598 10.39800811 -0.06308052 0.03084797 -0.06804633 Na 12.92527071 7.74569357 10.36460629 0.06250289 0.01442856 -0.02506349 Na 12.97471161 5.08969267 12.92091843 0.00148760 0.02688787 0.02159683 Na 10.38319991 7.77819847 12.93270351 -0.02166108 -0.02962563 0.07347933 Na 0.02806584 10.41160588 10.42158823 -0.07053170 -0.04590741 -0.05183938 Na 2.57047020 12.97578331 10.41521281 0.04532140 0.05765606 -0.06794143 Na 2.56628147 10.37524244 12.93471970 0.05357790 -0.04561937 0.07147727 Na 0.00457925 12.91751645 12.97704242 0.03830001 -0.02987593 -0.03074138 Na 5.22151702 10.36573618 10.34560712 -0.05827498 -0.01702227 -0.03158945 Na 7.73772328 12.97154363 10.38565678 0.02797987 0.04941175 -0.03063535 Na 7.81048566 10.33687649 12.94416020 -0.00548290 0.01595797 0.08158424 Na 5.13037370 12.89635722 12.92695451 0.01937304 0.00798467 0.02481776 Na 10.39024767 10.38879383 10.36704394 -0.03255401 -0.02083709 -0.05204092 Na 12.98909328 12.92532064 10.39127377 -0.00697071 -0.00904081 -0.02732557 Na 12.94436980 10.33866169 13.01816423 -0.00339762 -0.03023394 -0.02521538 Na 10.39197133 12.89838830 12.94539978 -0.03472166 0.00804001 -0.00437206