108 Lattice="19.222369413748947 0.0 0.0 0.0 19.222369413748947 0.0 0.0 0.0 19.222369413748947" Properties=species:S:1:pos:R:3:forces:R:3 energy=-105.89971107105595 stress="-0.00035594307151070833 -2.629346039370011e-05 7.025030249892001e-05 -2.629346039370011e-05 -0.0003390541018215077 -4.064688886661329e-06 7.025030249892001e-05 -4.064688886661329e-06 -0.0003550093435945495" free_energy=-105.89971107105595 pbc="F F F" Sr 0.00962507 0.01149494 0.03671943 -0.06826683 -0.09337824 -0.06798481 Sr 3.17570448 3.15295533 0.04735113 0.15880523 0.18450387 -0.17959564 Sr 3.21760576 0.04530048 3.25869921 0.09854503 -0.18901476 0.11172133 Sr 0.02127354 3.16828641 3.19374589 -0.15979776 0.16475575 0.17077670 Sr 6.41297625 0.06244560 0.02405917 -0.01194180 -0.15150459 -0.10969997 Sr 9.55965118 3.17034969 0.04256793 0.03864059 0.19066811 -0.13083768 Sr 9.56375147 0.01308130 3.26268239 0.02398526 -0.16276839 0.11559957 Sr 6.39741766 3.15990393 3.22124937 -0.00078391 0.29439146 0.22377702 Sr 12.84030867 0.00810429 0.04800810 -0.12220270 -0.09876128 -0.09888689 Sr 16.06594346 3.20466219 0.00749550 0.05363958 0.09566814 -0.09998526 Sr 16.00936552 0.03360976 3.26389566 0.11832393 -0.13193714 0.06782052 Sr 12.75405006 3.17150218 3.25227993 -0.10746154 0.23754298 0.10010392 Sr 0.03172636 6.41735857 0.03568842 -0.11282057 -0.02219418 -0.12606704 Sr 3.15386616 9.63620034 0.02335359 0.17565655 -0.05083083 -0.15401059 Sr 3.22086785 6.43833583 3.15405497 0.19997333 -0.07928813 0.25910512 Sr 0.01715487 9.50875043 3.24278560 -0.15670348 0.07339447 0.12183100 Sr 6.36171958 6.42395515 0.05170148 0.03114062 -0.01720020 -0.10901572 Sr 9.60945990 9.51789627 0.05796410 -0.08065664 0.06409158 -0.10307925 Sr 9.58326628 6.36551046 3.23792326 -0.04376497 0.02624999 0.18488878 Sr 6.39149300 9.59370260 3.23856804 0.05160293 -0.00151873 0.15154361 Sr 12.76214062 6.44910076 0.04346988 -0.08177994 -0.10527065 -0.13492408 Sr 15.96712953 9.67016585 0.01779358 0.12561940 -0.04070136 -0.08936890 Sr 16.03252536 6.36483973 3.14987283 0.08091234 0.04198128 0.19519160 Sr 12.78187064 9.56589023 3.17140406 -0.16316686 0.06781040 0.30166337 Sr 0.01611425 12.78828613 0.01159818 -0.12088519 -0.07129586 -0.08320201 Sr 3.24449543 16.06033712 0.04597704 0.06125755 0.09122103 -0.14162048 Sr 3.23745131 12.77854588 3.14773970 0.10822735 -0.11964292 0.25318361 Sr 0.01603160 16.03506558 3.21155735 -0.09730787 0.09111705 0.08336897 Sr 6.37710931 12.75381557 0.01751478 0.08407984 -0.12151082 -0.13240724 Sr 9.55771070 16.04579217 0.02160011 0.01788594 0.05202776 -0.08512981 Sr 9.61216799 12.80575245 3.21322720 -0.04311423 -0.20236021 0.17648936 Sr 6.37633643 16.02680115 3.16664396 0.03252496 0.09901356 0.21398657 Sr 12.79599051 12.77205841 0.01987580 -0.16521754 -0.05695409 -0.13276598 Sr 16.02472915 15.98502210 0.04134521 0.03826433 0.05136722 -0.05274135 Sr 16.01014945 12.83917491 3.25968410 0.11140218 -0.16320740 0.10454055 Sr 12.78864575 16.01245302 3.25245489 -0.11103587 0.14315967 0.05892748 Sr 0.03776666 0.01443025 6.46932950 -0.10964040 -0.10239200 -0.02449669 Sr 3.18476369 3.25250995 6.46203315 0.25688500 0.18034912 -0.07064126 Sr 3.24386838 0.01093943 9.57564302 0.11976278 -0.10849871 0.07872987 Sr 0.03831797 3.21310320 9.58823315 -0.15229122 0.11222089 0.05991153 Sr 6.35168984 0.03952745 6.39120427 0.06497747 -0.06967830 0.07209547 Sr 9.65322486 3.19103221 6.41229009 -0.10283037 0.22943735 0.10800814 Sr 9.52489257 0.02185593 9.61548516 0.05691029 -0.06488545 -0.04823345 Sr 6.36174687 3.25377330 9.67314476 0.07426367 0.16102321 -0.15539215 Sr 12.81752544 0.02460655 6.45753278 -0.17043116 -0.15700922 0.04556663 Sr 15.96439187 3.16923464 6.38943969 0.10942182 0.25474965 0.04944987 Sr 16.07458600 0.02924221 9.59009154 0.07734488 -0.09010570 0.01350553 Sr 12.83559478 3.25029220 9.65570931 -0.25718254 0.11844612 -0.09519251 Sr 0.04727005 6.34552256 6.39521923 -0.10594412 0.07076861 0.05075426 Sr 3.19103165 9.57602293 6.35504391 0.22021875 -0.02898827 0.10909086 Sr 3.21564422 6.35002513 9.65667758 0.20295193 0.14752137 -0.06420765 Sr 0.05331292 9.65715504 9.62340112 -0.09342034 -0.06319988 -0.07087872 Sr 6.43210530 6.43273850 6.40398310 -0.02916514 -0.05798491 0.06584165 Sr 9.49970967 9.60739498 6.42252334 0.07068433 0.04540437 0.00819348 Sr 9.65481757 6.42974355 9.59564375 -0.09147458 0.02692147 -0.01835228 Sr 6.35079118 9.62711866 9.63789867 0.08767434 -0.12084432 -0.06434258 Sr 12.76488281 6.51569910 6.39121877 -0.11522340 -0.06789646 0.04259957 Sr 15.99405649 9.62473249 6.39623691 0.06145232 -0.05147509 0.02975298 Sr 15.98337568 6.37906279 9.66398573 0.07551525 0.10307936 -0.10809982 Sr 12.75242083 9.66202482 9.62178012 -0.13871435 -0.08445479 -0.05778071 Sr 0.04940531 12.80768309 6.36197227 -0.11530376 -0.14109590 0.03049735 Sr 3.15318108 16.03012615 6.45249576 0.20272655 0.10054182 -0.03451948 Sr 3.22952253 12.76236835 9.60991863 0.13311864 -0.11453131 -0.06338013 Sr 0.05936349 16.02666940 9.63005648 -0.12551712 0.06285636 -0.01626836 Sr 6.35045456 12.83802972 6.38947059 0.04353637 -0.19739236 0.01904572 Sr 9.61088871 15.99348656 6.38197348 -0.07612117 0.08850571 0.06299259 Sr 9.54036483 12.77105072 9.63414438 -0.00023051 -0.14120108 -0.04280341 Sr 6.40328774 15.97080880 9.62588618 0.02787752 0.10724955 -0.05510343 Sr 12.80138786 12.87767999 6.46895303 -0.19514423 -0.31298930 -0.02685960 Sr 16.02760137 16.01276095 6.40624735 0.08548595 0.09689908 0.06475322 Sr 16.04687134 12.75856382 9.65166859 0.12086128 -0.08366412 -0.08151359 Sr 12.77878440 15.95612122 9.64964341 -0.14625794 0.13200003 -0.01793277 Sr 0.01309031 0.03017131 12.87283088 -0.08878405 -0.12017238 -0.16128516 Sr 3.17644023 3.24589089 12.85525770 0.18666432 0.13043733 -0.20315640 Sr 3.24505750 0.06136575 16.04108024 0.12889641 -0.15402542 0.10227141 Sr 0.05258123 3.16074035 16.04617274 -0.14399235 0.17350459 0.11939004 Sr 6.46013280 0.04149957 12.80067419 -0.08588386 -0.13877643 -0.09768199 Sr 9.52404962 3.22336435 12.78609422 0.11986769 0.16093430 -0.15002279 Sr 9.63143344 0.00790234 15.98136292 -0.05391228 -0.09214018 0.09896901 Sr 6.37207777 3.25446222 15.99527169 0.08708024 0.11453490 0.15175140 Sr 12.83597038 0.04510611 12.81249012 -0.15867431 -0.15568107 -0.18727777 Sr 15.99221581 3.24828164 12.77422720 0.17277199 0.08149902 -0.07822561 Sr 16.06565592 0.05572033 15.95573516 0.06507280 -0.05295408 0.06178333 Sr 12.76207059 3.15697212 16.00839480 -0.08294444 0.18766313 0.14008169 Sr 0.01549123 6.46169814 12.78397635 -0.11310134 -0.00259802 -0.06470898 Sr 3.24856544 9.63176941 12.77673484 0.15823640 -0.11710956 -0.07809958 Sr 3.21546849 6.42051176 16.08241082 0.13018752 0.07719584 0.05034215 Sr 0.04641582 9.69402746 16.02592976 -0.08767862 -0.06537364 0.07968234 Sr 6.49489508 6.34854578 12.80718697 -0.06351568 0.18937861 -0.15486355 Sr 9.64687191 9.64018358 12.85486762 -0.06313482 -0.07551316 -0.24747470 Sr 9.67055919 6.44743179 16.02371938 -0.07560308 -0.03044958 0.09643833 Sr 6.46488664 9.65339438 15.99961741 -0.05457596 -0.06268509 0.07338996 Sr 12.77899983 6.37254000 12.82280675 -0.16352748 0.08904531 -0.15594523 Sr 15.98964646 9.64449765 12.80186323 0.10547259 -0.09160853 -0.09737753 Sr 16.07951938 6.36586030 15.97916306 0.05467255 0.01589178 0.07766775 Sr 12.84604905 9.55631974 16.07482204 -0.09751414 -0.00289597 0.08797926 Sr 0.02389289 12.83385494 12.83445700 -0.16600899 -0.13305495 -0.17853852 Sr 3.21511917 16.00588049 12.77973242 0.14181916 0.16677924 -0.09492995 Sr 3.18080249 12.85704243 15.96642525 0.20005307 -0.16242307 0.17487667 Sr 0.01410452 15.98299938 16.03774775 -0.06686998 0.08536181 0.05663928 Sr 6.37056907 12.78162837 12.78285181 0.08494100 -0.14393480 -0.11156254 Sr 9.53693582 16.03440240 12.86507660 0.05669465 0.05917938 -0.17612339 Sr 9.67006566 12.75725782 16.02734915 -0.00000502 -0.06157880 0.09796099 Sr 6.44638464 15.96078009 16.00514409 -0.02157058 0.07726781 0.11466593 Sr 12.83575111 12.77270564 12.78841995 -0.23440384 -0.11099523 -0.09879592 Sr 15.98053828 15.99043672 12.80281833 0.14834524 0.11032990 -0.11177808 Sr 15.99152674 12.80396710 16.05339044 0.10328720 -0.09878423 0.09956804 Sr 12.86535636 16.06246540 15.97218713 -0.15271802 0.08443977 0.10640361