108 Lattice="19.25758568856719 0.0 0.0 0.0 19.25758568856719 0.0 0.0 0.0 19.25758568856719" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.4997421113059 stress="-0.00041256621753113233 5.089168613564502e-06 2.9458506287993358e-06 5.089168613564502e-06 -0.0004027497447855393 -3.4237158642742434e-05 2.9458506287993358e-06 -3.4237158642742434e-05 -0.00040049225423288546" pbc="F F F" Sr 0.01269258 0.05053044 0.02002005 -0.06837338 -0.10334562 -0.08334069 Sr 3.16182510 3.22505576 0.00762498 0.21718828 0.11858032 -0.15691173 Sr 3.19453243 0.05526837 3.26565654 0.18778451 -0.20414712 0.06958040 Sr 0.04768641 3.14765487 3.18841919 -0.18360107 0.24417128 0.18501570 Sr 6.44298044 0.06160611 0.05419300 -0.05046209 -0.13237618 -0.11852456 Sr 9.60710621 3.17988326 0.05239246 0.00698949 0.22232938 -0.16554340 Sr 9.64442876 0.03923756 3.19039643 -0.02765195 -0.16374925 0.19059334 Sr 6.43260636 3.19628001 3.19074135 -0.02325914 0.25805467 0.25827686 Sr 12.85937732 0.05844556 0.01036958 -0.10978340 -0.14794819 -0.12909703 Sr 16.05458664 3.16679081 0.03748484 0.13078778 0.14135224 -0.12261971 Sr 16.08238353 0.00511332 3.19210183 0.09966960 -0.13069611 0.10437060 Sr 12.80380809 3.20913523 3.18716186 -0.16068386 0.22668663 0.22443202 Sr 0.04500200 6.39418337 0.02440691 -0.12262466 0.01901600 -0.11342599 Sr 3.26873502 9.59843425 0.00292190 0.09881094 0.05257645 -0.13827287 Sr 3.24178517 6.46457447 3.17401677 0.16180737 -0.07294897 0.27612559 Sr 0.03635768 9.59581478 3.14575994 -0.11566895 0.01175443 0.19942376 Sr 6.41784382 6.44752518 0.01389345 0.02028552 -0.07427872 -0.13392362 Sr 9.60078438 9.60639636 0.00547965 0.06474991 0.04377368 -0.10035028 Sr 9.56810465 6.46835652 3.20053189 0.06890394 -0.08751609 0.25666020 Sr 6.48301085 9.56892938 3.17950435 -0.06505994 0.10040609 0.28260555 Sr 12.85432564 6.40212899 0.01426996 -0.18720728 0.01867978 -0.13224436 Sr 16.06232255 9.60824129 0.01523098 0.08207390 0.00124807 -0.12943622 Sr 16.00046489 6.46314541 3.14552310 0.16498163 -0.07715575 0.17938608 Sr 12.85852256 9.59191033 3.25009649 -0.28431957 0.05282359 0.09343719 Sr 0.02938975 12.86803069 0.01356041 -0.09258738 -0.14658655 -0.11380251 Sr 3.20100625 16.03753710 0.00436698 0.13218222 0.11728222 -0.11140136 Sr 3.25312393 12.80236285 3.24422940 0.13427574 -0.18978607 0.15398332 Sr 0.03137809 16.05692435 3.14947319 -0.10249215 0.10544439 0.15010436 Sr 6.40932210 12.87509912 0.03717122 -0.02155440 -0.20915817 -0.15570680 Sr 9.56095193 15.98913683 0.04735187 0.05288511 0.13637051 -0.12281510 Sr 9.56592715 12.86169877 3.18218891 0.06909316 -0.25613093 0.23328310 Sr 6.41477484 15.99065008 3.22655152 -0.07038105 0.17527432 0.15150227 Sr 12.89746808 12.86581011 0.04750512 -0.20618495 -0.17000086 -0.16908721 Sr 16.09403574 16.07433603 0.01884701 0.06190884 0.05638822 -0.05043576 Sr 16.00658180 12.79021097 3.16573634 0.18249009 -0.07897675 0.21597139 Sr 12.86966721 16.03749474 3.20319075 -0.15665004 0.15804845 0.13485329 Sr 0.01263000 0.01409537 6.40475592 -0.13373660 -0.10372222 0.04003739 Sr 3.19943945 3.17000902 6.42050874 0.20816142 0.29397843 -0.00661666 Sr 3.19402744 0.05950303 9.58373076 0.13888430 -0.14566515 0.05238222 Sr 0.00031778 3.18972652 9.68299089 -0.14604971 0.15499838 -0.04323269 Sr 6.42647335 0.03638615 6.46373158 0.03005055 -0.13277952 -0.03965479 Sr 9.58115042 3.17167801 6.47208705 0.05791559 0.25985867 -0.06061499 Sr 9.59052589 0.01307138 9.72044149 0.04345343 -0.09958320 -0.05546298 Sr 6.44830327 3.18489909 9.60938226 -0.04716202 0.24911965 0.06875829 Sr 12.85086102 0.03609876 6.37917224 -0.16632674 -0.11388884 0.09321502 Sr 16.02071396 3.17174607 6.37317014 0.11451820 0.18691347 0.04845774 Sr 16.04779139 0.01017236 9.68153339 0.04845961 -0.09547908 -0.05257786 Sr 12.83153537 3.26257711 9.68738599 -0.15872894 0.13910963 -0.07892491 Sr 0.01455871 6.40533761 6.46948620 -0.10186780 -0.03359587 -0.09947707 Sr 3.20870366 9.56517918 6.45090270 0.19869478 0.07217440 -0.05469277 Sr 3.16410143 6.37322776 9.57291890 0.26728549 0.01778791 0.10391556 Sr 0.03821683 9.58880400 9.57507059 -0.07094415 0.05353736 0.05200815 Sr 6.39288888 6.47524698 6.47099545 0.05177056 -0.06393277 -0.04960770 Sr 9.65108821 9.66694075 6.39285507 -0.07112556 -0.05338156 0.06930016 Sr 9.60662056 6.39240540 9.57511657 0.05716646 0.10709183 0.02194050 Sr 6.34921319 9.58927481 9.66632870 0.09182333 0.04527588 -0.07002731 Sr 12.87938844 6.43725260 6.40242390 -0.30347058 -0.05949300 0.03726715 Sr 15.99660780 9.57079349 6.37392113 0.12141509 0.10627372 0.06786718 Sr 16.04920552 6.46970510 9.57393579 0.08164495 -0.04318915 0.04536396 Sr 12.85578144 9.66697898 9.64599879 -0.23523682 -0.08201419 -0.03316920 Sr 0.00749990 12.83714286 6.39801347 -0.11293854 -0.16234223 0.00753911 Sr 3.15857636 16.00487944 6.47034755 0.16392225 0.17493827 -0.06269051 Sr 3.26686119 12.88121122 9.59568945 0.08886318 -0.27540269 0.04506280 Sr 0.05289285 16.01477071 9.67035011 -0.11696204 0.11423639 -0.01553833 Sr 6.36769383 12.86920162 6.46830905 0.09725677 -0.29617321 -0.02723547 Sr 9.55719751 16.07926973 6.35969654 0.03338193 0.07400596 0.07045566 Sr 9.66918572 12.81184544 9.56697840 -0.12592291 -0.14862123 0.04953402 Sr 6.40381208 16.02698811 9.65118200 0.03900772 0.10529290 -0.03619932 Sr 12.79386438 12.88671105 6.41458096 -0.10905017 -0.18750996 -0.01141496 Sr 16.05348726 16.09213202 6.43580512 0.07153839 0.04546961 -0.00559004 Sr 15.99491703 12.88574040 9.66145832 0.12347432 -0.15709616 -0.07089967 Sr 12.80301609 16.08149740 9.64300326 -0.15925523 0.12062810 -0.03823084 Sr 0.00056200 0.03747910 12.86526011 -0.10293518 -0.14966217 -0.12674404 Sr 3.19123704 3.24486987 12.84565806 0.23822955 0.17779671 -0.19919991 Sr 3.20979053 0.02702006 16.02704899 0.10405450 -0.12351735 0.14460999 Sr 0.01860305 3.15034758 16.05186781 -0.12938949 0.16225655 0.12064879 Sr 6.34697305 0.00128138 12.88034996 0.06357766 -0.10134875 -0.16821319 Sr 9.65896084 3.22104576 12.86163887 -0.05863486 0.21862261 -0.19974876 Sr 9.66860613 0.05023272 16.07448654 -0.07202233 -0.12960054 0.09507400 Sr 6.45559564 3.20484160 16.00887479 -0.01904193 0.13583476 0.10853970 Sr 12.80379683 0.02375347 12.89733583 -0.10772911 -0.17913010 -0.20478006 Sr 16.06705359 3.15426448 12.81632844 0.13236567 0.22002291 -0.10244578 Sr 16.00213868 0.00050918 16.00570479 0.09430202 -0.08727035 0.08697277 Sr 12.83568570 3.15209335 16.05340564 -0.08744259 0.23997897 0.15386283 Sr 0.06312237 6.47080021 12.87165445 -0.12898978 -0.04004060 -0.18002944 Sr 3.21551536 9.68248697 12.89361447 0.17488298 -0.09898136 -0.26644255 Sr 3.24677414 6.37414648 16.06106777 0.17488658 0.04324928 0.10358721 Sr 0.03142463 9.54908947 16.00991929 -0.09718371 0.06247736 0.13360461 Sr 6.49445025 6.47415957 12.80067879 -0.08915378 -0.06642085 -0.16094140 Sr 9.57546621 9.65180477 12.84148068 0.07848014 -0.04401336 -0.22056803 Sr 9.58470892 6.38646652 16.10657792 0.04345567 0.05805014 0.05209178 Sr 6.45306198 9.68299163 16.01314503 -0.00047647 -0.04866433 0.13010663 Sr 12.89464658 6.47588575 12.90249633 -0.27932035 -0.02839862 -0.24672877 Sr 16.03707062 9.66116812 12.83370243 0.12835748 -0.00947923 -0.15250101 Sr 16.03535089 6.45374141 16.01598855 0.10770441 -0.03302029 0.10626474 Sr 12.84002164 9.64355953 16.04937516 -0.18765839 -0.01258196 0.11199333 Sr 0.01882221 12.83882275 12.78932781 -0.13608398 -0.14044973 -0.07489316 Sr 3.22900624 16.05102666 12.89331548 0.11153705 0.15197132 -0.16694232 Sr 3.21479097 12.86412037 16.03711860 0.10687020 -0.13599529 0.18022941 Sr 0.06356028 16.08073538 16.09886012 -0.06832088 0.03992784 0.03826337 Sr 6.37498270 12.82679058 12.84576782 0.09654139 -0.13642052 -0.21289293 Sr 9.51977615 16.09594434 12.81760528 0.06998664 0.08390272 -0.14338604 Sr 9.68144058 12.90171109 15.99166321 -0.08090740 -0.15859015 0.13239190 Sr 6.43676023 16.10956660 16.02280678 0.00090077 0.05991937 0.12095457 Sr 12.79171924 12.88294253 12.82634018 -0.16804375 -0.19030722 -0.18548899 Sr 16.00678813 16.09022383 12.85918766 0.12258701 0.11327369 -0.11605549 Sr 16.00197039 12.82741061 15.99630271 0.14448835 -0.09705016 0.12371140 Sr 12.87089183 16.00641271 16.04794199 -0.13810739 0.16137878 0.11118222