108 Lattice="19.216326541835862 0.0 0.0 0.0 19.216326541835862 0.0 0.0 0.0 19.216326541835862" Properties=species:S:1:pos:R:3:forces:R:3 energy=-106.43464713806144 stress="-0.9239739619196182 0.18302316013678022 -0.22840214152007743 0.18302316013678022 -1.0841023697573497 0.7809771293108483 -0.22840214152007743 0.7809771293108483 -0.9045623111382661" pbc="F F F" Sr 0.00686391 0.06291008 -0.04862315 -0.08416758 -0.07566952 -0.07875237 Sr 3.19311418 3.19385827 0.02746986 0.18248371 0.13738771 -0.15714319 Sr 3.16298830 0.02350964 3.15305865 0.22315982 -0.19532239 0.14557490 Sr 0.05935650 3.14901457 3.22131259 -0.19775169 0.23917297 0.12431253 Sr 6.42829151 0.00685260 -0.02956741 0.02524491 -0.05755931 -0.04917090 Sr 9.63558029 3.25304513 -0.00532832 -0.03024298 0.08868492 -0.09457876 Sr 9.67618483 0.05830951 3.20069352 -0.07371114 -0.12099052 0.08071048 Sr 6.44564168 3.21546398 3.24493471 0.00308696 0.19812063 0.12032951 Sr 12.82671889 -0.04683194 -0.03498279 -0.13655091 -0.09639680 -0.11778545 Sr 15.98493964 3.16699190 0.01171462 0.12745501 0.13104861 -0.16139056 Sr 16.00311027 -0.01722245 3.14124865 0.12208881 -0.09496175 0.18311168 Sr 12.87321312 3.20085381 3.16537820 -0.23253502 0.18436083 0.19595918 Sr 0.02083694 6.35306094 -0.04536282 -0.09004089 0.05422470 -0.06099079 Sr 3.25951085 9.62956552 -0.01813717 0.04284372 -0.04045257 -0.12605017 Sr 3.15574024 6.46155965 3.16957598 0.19716179 -0.03064939 0.22609348 Sr -0.02210223 9.64008284 3.21936153 -0.12841780 -0.05339129 0.06851286 Sr 6.37257391 6.34835906 0.04464576 0.04867066 0.02998857 -0.10160050 Sr 9.59175371 9.58166508 -0.05594529 -0.00653664 0.00451985 -0.07761850 Sr 9.66089689 6.46216905 3.20907178 -0.06857785 -0.02681956 0.21987131 Sr 6.41359407 9.56141131 3.15231815 0.05151359 0.00901203 0.28863591 Sr 12.77335446 6.40724437 -0.04952730 -0.05529004 0.04562582 -0.08690117 Sr 16.02161045 9.64574765 -0.01261702 0.07556373 -0.05319692 -0.05729707 Sr 16.03486368 6.34681746 3.20046337 0.10172374 0.12361345 0.09590317 Sr 12.79477720 9.63058476 3.18894284 -0.14818107 -0.02681112 0.19439466 Sr 0.02064356 12.86199658 0.05537726 -0.09704919 -0.12202846 -0.13082698 Sr 3.24277160 16.04002057 0.05925129 0.07825431 0.09014410 -0.10350235 Sr 3.19374928 12.74945684 3.24175591 0.22016776 -0.09858069 0.15688838 Sr -0.01796714 15.99248223 3.26018620 -0.08878212 0.11524981 0.10051636 Sr 6.39574466 12.76389558 0.05193989 -0.00014730 -0.08368350 -0.15121980 Sr 9.59314683 15.95621035 0.02560965 -0.03173234 0.12642178 -0.12943684 Sr 9.56622058 12.83924144 3.13908282 0.05372665 -0.24817626 0.27550808 Sr 6.37072037 16.00024300 3.21897666 0.05086078 0.10285272 0.14230517 Sr 12.84216881 12.83362120 -0.03918081 -0.17691836 -0.15439198 -0.13616104 Sr 16.05892247 15.95642596 -0.00773399 0.06772153 0.07845655 -0.06622159 Sr 15.95601244 12.84537928 3.19913335 0.14370724 -0.16805436 0.16466970 Sr 12.80313630 16.06941821 3.16972527 -0.11468670 0.10516700 0.19116131 Sr 0.01973647 0.02528359 6.35048321 -0.09553158 -0.12495882 0.06546339 Sr 3.23735178 3.18235165 6.38646839 0.14865622 0.24308732 0.07319708 Sr 3.23514992 -0.02110800 9.59616213 0.11089518 -0.08101825 -0.03887272 Sr -0.01141427 3.15150662 9.61671384 -0.07214474 0.19059586 -0.05221204 Sr 6.44538860 0.05888698 6.36955282 0.01430860 -0.12516646 0.03565152 Sr 9.65324874 3.22062883 6.41316569 -0.03485666 0.24400659 0.01142764 Sr 9.62627309 0.05853694 9.65194363 -0.00433020 -0.13253964 -0.06421678 Sr 6.46496622 3.19533777 9.62166483 -0.02185262 0.24382637 -0.04771030 Sr 12.76834969 0.00169429 6.34644084 -0.04328593 -0.10036644 0.08686077 Sr 15.99513271 3.30924637 6.46995447 0.13439725 -0.03977245 -0.06014712 Sr 16.05463323 -0.02575157 9.61850639 0.05513854 -0.06933920 -0.05082009 Sr 12.85656946 3.18878094 9.59104649 -0.22649485 0.19739165 0.02296365 Sr 0.01363928 6.46193462 6.41473539 -0.05492947 -0.03811388 0.04635600 Sr 3.19630774 9.65415902 6.37609394 0.23687120 -0.08750931 0.10388445 Sr 3.20674802 6.39386287 9.65906416 0.19107468 0.03907246 -0.11989474 Sr 0.00000671 9.66526004 9.64938669 -0.04933297 -0.02939388 -0.05751137 Sr 6.35570042 6.41652767 6.40428729 0.07161875 0.03628689 0.04262851 Sr 9.56365206 9.65637017 6.44608499 0.03409855 -0.11701715 -0.06960377 Sr 9.66848035 6.43815725 9.57483570 -0.10709552 -0.05177997 -0.00590485 Sr 6.42500772 9.65144896 9.60320149 -0.02874518 -0.11867663 -0.01474244 Sr 12.84410471 6.40316135 6.35554508 -0.23575659 0.09153472 0.04424547 Sr 16.07548503 9.62804294 6.46566861 0.04923111 -0.03553753 -0.05992606 Sr 16.04882807 6.38651940 9.57129075 0.07304742 0.05575805 0.07061027 Sr 12.84231560 9.49977858 9.64245678 -0.17013759 0.07291322 -0.05216084 Sr 0.02412381 12.79805766 6.42867409 -0.12104159 -0.09708202 0.03650481 Sr 3.26198584 16.03715643 6.37942323 0.07297799 0.08598016 0.04413055 Sr 3.26211865 12.84693278 9.58649192 0.15687748 -0.18493308 0.02309166 Sr -0.01058108 15.99365702 9.64518377 -0.05052627 0.07586651 -0.02479521 Sr 6.46644854 12.79553738 6.46219012 -0.04514978 -0.18126899 -0.08826614 Sr 9.58343141 15.99500730 6.40986974 0.05845814 0.07866325 0.00177223 Sr 9.66689644 12.76085611 9.56428645 -0.03491635 -0.11436767 0.08122497 Sr 6.43179010 16.04494138 9.56378937 0.00933631 0.04781642 0.05993826 Sr 12.80103195 12.75443500 6.44965273 -0.19292788 -0.13176119 -0.06811715 Sr 16.06192924 15.95462717 6.44190898 0.05997110 0.12653336 -0.04926409 Sr 15.98121198 12.87280780 9.56371099 0.12316797 -0.23321572 0.10092780 Sr 12.86795618 15.98737903 9.64452233 -0.21958536 0.14032160 -0.03597966 Sr 0.00627934 0.03790130 12.79202111 -0.11044505 -0.11331989 -0.09479276 Sr 3.23884796 3.24116364 12.83120207 0.09461376 0.10563895 -0.24078118 Sr 3.14529562 -0.00636854 15.97775481 0.14145498 -0.14045427 0.11904560 Sr 0.06346535 3.19250738 16.06260112 -0.15307422 0.12340006 0.07824223 Sr 6.35339576 -0.03085644 12.77122652 0.06580058 -0.10389638 -0.07130634 Sr 9.63593919 3.15161318 12.80767077 -0.04927501 0.26725058 -0.17284589 Sr 9.61201598 0.05821645 16.05643557 -0.04566106 -0.11185834 0.06718517 Sr 6.35030466 3.18451656 16.00445953 0.07263270 0.11838999 0.12212650 Sr 12.84621308 -0.05068781 12.83571402 -0.13953783 -0.14384769 -0.15175435 Sr 15.98682494 3.21628269 12.79327916 0.14872082 0.13422796 -0.10637512 Sr 15.97146047 0.04525535 16.05707286 0.08091772 -0.05981291 0.06266129 Sr 12.79276981 3.18628682 15.97659270 -0.09029614 0.17546396 0.16237991 Sr -0.01924554 6.45468429 12.76234922 -0.10351649 -0.03467091 -0.08187746 Sr 3.25633500 9.61599139 12.77975781 0.15517409 -0.00951986 -0.13466695 Sr 3.17204266 6.36202442 16.01026514 0.14412380 0.12529904 0.11729885 Sr -0.01103477 9.64575085 15.99109627 -0.04760058 -0.04103268 0.09457518 Sr 6.36896458 6.36303648 12.83760466 0.13233110 0.06937737 -0.22704013 Sr 9.55659871 9.56365336 12.75761864 0.03023045 -0.04429127 -0.13265322 Sr 9.61371571 6.38388778 16.04500768 -0.05689122 0.03179039 0.05555606 Sr 6.41052011 9.65226412 15.98076247 0.00238081 -0.09520484 0.12032992 Sr 12.79549582 6.43285874 12.85818365 -0.16896466 -0.02062463 -0.22647786 Sr 16.05302331 9.60574117 12.80965103 0.09847446 0.02439463 -0.17657868 Sr 16.00413074 6.47700995 15.99239578 0.08737242 -0.04026898 0.10623173 Sr 12.79966345 9.63201118 16.01936378 -0.16228459 -0.06145145 0.10389334 Sr 0.05214741 12.78925146 12.85273226 -0.14795250 -0.08801399 -0.15731090 Sr 3.23428120 15.96708077 12.86396110 0.14726440 0.15943279 -0.20785417 Sr 3.22828009 12.86595144 16.01679149 0.13119204 -0.21140565 0.16495812 Sr 0.04867278 16.01818335 16.06470080 -0.07469998 0.06265542 0.05110503 Sr 6.50369973 12.77208673 12.86009665 -0.05532384 -0.09888749 -0.29286988 Sr 9.57636213 16.01477073 12.79083172 0.01650543 0.10169003 -0.15230040 Sr 9.65027220 12.78327354 15.98859929 -0.02193557 -0.09693693 0.15222509 Sr 6.42215244 16.00066507 16.01568970 0.04498187 0.09798385 0.10936175 Sr 12.76596219 12.76732380 12.83532702 -0.11701815 -0.16155052 -0.23580197 Sr 16.00172643 16.02223747 12.86337317 0.13312841 0.07151314 -0.11726331 Sr 15.96097308 12.78003745 16.05770209 0.11840475 -0.08427543 0.09619762 Sr 12.83484308 16.05250525 15.96904997 -0.14682816 0.10006413 0.11863295