108 Lattice="15.56040926629257 0.0 0.0 0.0 15.56040926629257 0.0 0.0 0.0 15.56040926629257" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.57548282179374 stress="-0.0004966414643226464 -2.0343386557856062e-05 -7.018378619102923e-05 -2.0343386557856062e-05 -0.0004778577324762942 -5.394557887015129e-06 -7.018378619102923e-05 -5.394557887015129e-06 -0.00046999632896137304" pbc="F F F" Na 0.04746234 0.00146370 0.01954284 0.04331703 0.03230187 0.05066080 Na 2.55483610 2.56947115 0.00218879 0.05139007 0.05384811 -0.05243137 Na 2.66518573 0.01113541 2.59362196 -0.01446438 -0.06127248 0.03457155 Na 0.00421145 2.55529380 2.58645647 -0.05013093 0.02862389 0.02062560 Na 5.21125681 0.04046289 0.04491013 -0.00903855 -0.02524841 -0.03266773 Na 7.77417053 2.56949056 0.03300832 0.01984097 0.04197812 -0.07482596 Na 7.79053173 0.00548325 2.61473511 0.01981777 -0.06660163 0.04682818 Na 5.22061344 2.54409290 2.59912152 -0.02021923 0.09886770 0.04517691 Na 10.37567835 0.00891050 0.01802246 -0.01543859 0.02834397 0.02360589 Na 12.99766697 2.64620358 0.08657719 -0.00596100 -0.01327744 -0.02441908 Na 12.98828359 0.03615071 2.60714294 -0.02415813 0.00447287 0.01915306 Na 10.35493017 2.65288735 2.59376743 -0.04136665 -0.03586643 0.03370211 Na 0.01779242 5.23534129 0.05092030 -0.01978836 -0.03158353 -0.01463219 Na 2.58705376 7.74468310 0.00401647 0.05894443 0.02062193 -0.06240095 Na 2.57430028 5.17922541 2.59847985 0.06117158 -0.04743493 0.01840183 Na 0.05042967 7.76045433 2.60455770 -0.08960082 0.01807833 0.01871888 Na 5.23789818 5.19964971 0.04662272 -0.04291120 -0.03293077 -0.05958290 Na 7.75432909 7.75171827 0.00726522 0.02897690 0.01588483 -0.05144710 Na 7.82697490 5.23519537 2.57367098 -0.02636379 -0.01897266 0.07173621 Na 5.12584633 7.78543789 2.63159130 0.03908248 0.01987630 0.02274073 Na 10.40392548 5.16356923 0.01045893 -0.05845134 0.02233059 -0.07605875 Na 12.92976444 7.73141970 0.00998060 0.00917113 0.02297245 0.00625156 Na 12.95647033 5.14810650 2.54994960 0.07273057 0.04473196 0.08388302 Na 10.41703181 7.81969095 2.68137325 -0.05234817 -0.04433431 -0.04770649 Na 0.09903926 10.37230411 0.03477975 -0.01869519 -0.03353809 -0.02071767 Na 2.63448249 12.99027540 0.02777997 0.01908258 -0.00302620 0.00221461 Na 2.54676331 10.41415614 2.59062827 0.07868060 -0.06635816 0.02255019 Na 0.00466501 12.90299218 2.61630277 -0.00725654 0.01532462 0.03034372 Na 5.21624967 10.38248734 0.04329766 -0.02866505 -0.03261086 -0.06712291 Na 7.81396719 12.97821363 0.02578931 0.00051130 0.00652319 -0.00339186 Na 7.80170480 10.39963889 2.54591320 -0.03095342 -0.06604495 0.07504758 Na 5.15969259 12.97103761 2.59203310 0.02556292 0.06054134 0.02083600 Na 10.35353443 10.31402577 0.00517239 0.00273595 0.00414862 -0.05685853 Na 13.00078823 12.93851810 0.00358114 -0.07688993 -0.06556560 0.06862130 Na 12.93543291 10.38043707 2.61911300 0.09334377 -0.01934144 -0.04052716 Na 10.37076222 12.92903548 2.63432682 -0.00788851 0.08834616 -0.03357432 Na 0.02947087 0.01827535 5.16903336 -0.00204086 0.00230564 -0.00274679 Na 2.59518991 2.59737275 5.22743943 0.02727773 0.02252085 -0.05128383 Na 2.57358286 0.03000421 7.75271339 0.01875559 -0.07675286 0.04492701 Na 0.02888671 2.63455628 7.81035755 -0.08461172 -0.00651380 -0.01933808 Na 5.16532593 0.03579708 5.23595437 0.01610471 -0.09017050 -0.01773404 Na 7.74021600 2.60905274 5.23246143 0.03373095 0.03219628 -0.02952621 Na 7.76206488 0.03902735 7.81619030 0.03693019 -0.07292232 -0.02176675 Na 5.17260272 2.56690139 7.79090587 -0.00453182 0.06035527 0.03160756 Na 10.41706087 0.04295039 5.21785762 -0.07831963 -0.06399583 -0.02864293 Na 12.92306085 2.57730489 5.15013291 0.09851697 0.04019116 0.01071182 Na 12.92461973 0.00345704 7.74469626 0.02573213 -0.01691063 0.01724212 Na 10.41204601 2.59212467 7.82045359 -0.07879087 0.03892645 -0.02318100 Na 0.02331198 5.14246451 5.16292474 -0.07757165 0.01550251 0.01132281 Na 2.57777088 7.77208155 5.14833966 0.03276985 0.00479393 0.03667440 Na 2.64164519 5.17257019 7.73441381 0.01134966 0.01575610 0.04273039 Na 0.04950470 7.73026737 7.82801866 -0.05664005 0.00408943 -0.01439729 Na 5.14334276 5.19091763 5.19422478 0.05473218 -0.00053346 -0.02815663 Na 7.84775129 7.77553055 5.16717439 -0.05340463 0.00590202 0.03378555 Na 7.74789280 5.13795046 7.80627103 0.03699723 0.05358776 -0.00988672 Na 5.14748276 7.76860511 7.79286767 0.02957138 -0.02398595 -0.03751657 Na 10.40163508 5.14613317 5.22266559 -0.06173473 0.02704651 -0.00771172 Na 12.95017779 7.82430401 5.15602145 0.08867163 -0.03219794 0.02159884 Na 12.92349812 5.19993747 7.73728190 0.09317569 -0.01125510 0.00657587 Na 10.41658120 7.82990186 7.80020389 -0.08369595 -0.03864986 -0.03972147 Na 0.00945066 10.30094197 5.19820983 -0.06805406 0.01124220 0.02752386 Na 2.62555462 12.92332417 5.14412009 -0.02141422 0.09042337 0.01615719 Na 2.62504599 10.37630275 7.74738776 -0.01320526 -0.04612830 0.03308365 Na 0.07742587 13.00157326 7.80988319 -0.00835433 -0.00071307 -0.04359615 Na 5.14355652 10.39159740 5.21157449 0.05717037 -0.08023172 -0.04441619 Na 7.75816114 12.95151237 5.15687897 0.00635205 0.05067024 0.02446427 Na 7.74529133 10.32391345 7.80190278 0.04130114 0.01391972 -0.04367610 Na 5.15907273 12.94854062 7.74056024 0.01753332 0.07738176 0.04640666 Na 10.41435693 10.42061889 5.15168808 -0.09179243 -0.03221178 0.07029082 Na 12.97025003 12.93620152 5.13591811 0.01870729 0.02740519 0.02267775 Na 12.92978212 10.39852216 7.76245193 0.07782698 -0.02207436 0.00523680 Na 10.37911052 13.01820287 7.80475664 -0.03730290 0.02645124 -0.02080359 Na 0.01577991 0.01131947 10.40501097 0.00291909 0.00796103 -0.04999292 Na 2.55246182 2.62515122 10.36307136 0.08376446 0.01149922 -0.02382927 Na 2.63369156 0.00688744 12.88677068 0.01352798 -0.00325443 0.00367231 Na 0.00887407 2.60280325 12.93304910 0.02081905 0.03173816 0.01013861 Na 5.23160258 0.00977281 10.35815349 -0.02671905 -0.05573597 -0.01926799 Na 7.80637173 2.60217785 10.40014280 -0.02293849 0.03925959 -0.03457188 Na 7.79675733 0.02502999 12.97299954 -0.01436660 -0.01583894 0.00573217 Na 5.14409028 2.56289031 12.97029033 0.02703995 0.04827648 0.04845173 Na 10.36227619 0.04714341 10.39032394 -0.01578007 -0.09895361 -0.02397976 Na 12.91856887 2.55900392 10.32993322 0.09028206 0.04808676 0.02547342 Na 12.93662417 0.03836848 12.99921643 -0.05521155 0.05581790 -0.05454443 Na 10.31933247 2.57164627 12.96435483 0.02436688 0.04907545 0.07527953 Na 0.01625059 5.14348852 10.36511919 -0.06987348 0.02218595 -0.01038833 Na 2.60140470 7.72922730 10.40644757 0.02631655 0.03005757 -0.07236248 Na 2.65305472 5.23184257 12.93615518 -0.01583289 -0.05627394 0.08359440 Na 0.06337485 7.78269408 12.90641896 -0.02053015 0.01205373 0.00919008 Na 5.23675701 5.19157523 10.39174636 -0.01601171 -0.01409709 -0.04479459 Na 7.81905931 7.80884509 10.36967903 -0.01384780 -0.03762318 -0.01859271 Na 7.80484374 5.20922163 12.96368530 -0.01785824 -0.01521223 0.06897207 Na 5.16737191 7.73369994 12.99901296 0.03358172 0.04996947 0.05858506 Na 10.41999463 5.19311350 10.41641873 -0.06990606 -0.02114107 -0.06774213 Na 12.92315112 7.72914211 10.33223444 0.10635362 0.04069509 0.01296540 Na 12.95304894 5.19940822 13.00218679 0.00528423 -0.03735891 -0.00768686 Na 10.39747825 7.73494275 12.94838180 -0.01889806 0.05131840 0.08489295 Na 0.01696215 10.42186177 10.32360623 -0.04827401 -0.03947769 0.00350844 Na 2.55942674 12.99121014 10.36613332 0.05860640 0.04892173 -0.01591311 Na 2.60570399 10.41475375 12.93077945 0.01706353 -0.03690566 0.05142032 Na 0.03172329 13.00320812 13.00405398 0.05724303 -0.05973521 -0.06278201 Na 5.18198491 10.28247099 10.33382647 -0.00877622 0.04338115 0.02852266 Na 7.80311085 12.93307161 10.37461721 -0.02426375 0.04453338 -0.01976060 Na 7.80646335 10.38512339 12.99042781 -0.04070800 -0.04179492 0.04751535 Na 5.12611319 13.00583334 12.93572135 0.02135612 -0.02159422 -0.02055814 Na 10.39768702 10.34478503 10.40120694 -0.01755360 0.01521919 -0.02355719 Na 12.99579244 12.93821907 10.33539673 -0.02579537 -0.00728834 -0.00460663 Na 13.00296959 10.42522601 12.98136434 -0.02306668 -0.06151010 -0.03027665 Na 10.36218053 12.90654443 13.01487710 -0.00782507 0.00451611 -0.02892690