256 Lattice="24.67343801864289 0.0 0.0 0.0 24.67343801864289 0.0 0.0 0.0 24.67343801864289" Properties=species:S:1:pos:R:3:forces:R:3 energy=-157.48424337565345 stress="-0.00014250215518091374 6.9855503261600936e-06 -9.87601184916209e-06 6.9855503261600936e-06 -0.0001448073600777528 5.859660930590872e-07 -9.87601184916209e-06 5.859660930590872e-07 -0.00014259843830772916" free_energy=-157.48424337565345 pbc="F F F" Na 0.05839815 0.01048577 0.00500153 -0.07152632 -0.06504753 -0.06328705 Na 3.10727975 3.05928420 0.02302335 0.05390436 0.08969976 -0.17175307 Na 3.07607740 0.04899862 3.12924479 0.10076652 -0.17480775 0.09151328 Na 0.05591495 3.08445297 3.13633742 -0.16997946 0.08779228 0.04962617 Na 6.13649050 0.01850682 0.03945469 0.03480367 -0.10686231 -0.10401025 Na 9.31386256 3.08164456 0.04489872 -0.01837764 0.11602372 -0.12665508 Na 9.23969776 0.05800799 3.08798635 0.01117523 -0.13244507 0.09286149 Na 6.11373473 3.09276617 3.02868134 0.06758136 0.12838235 0.17628603 Na 12.39154426 0.05539478 0.02392278 -0.02291767 -0.12719263 -0.10068582 Na 15.34652715 3.08048103 0.01091288 0.01788309 0.13005429 -0.12948499 Na 15.41756261 0.01717929 3.11324227 -0.01725839 -0.13197878 0.09369069 Na 12.35858144 3.07666508 3.04510553 -0.01997557 0.17209866 0.17596824 Na 18.52822421 0.02293390 0.01808704 -0.07726083 -0.10173675 -0.10938382 Na 21.64414773 3.06068263 0.04570577 0.09960165 0.07833391 -0.11038535 Na 21.61351070 0.04337563 3.08062815 0.12091757 -0.12847530 0.06067600 Na 18.46107210 3.06382100 3.13117243 -0.10015635 0.14016723 0.07063025 Na 0.05070497 6.19295824 0.00219125 -0.10332493 -0.00989523 -0.11327593 Na 3.10048854 9.25990773 0.00097916 0.10075002 -0.00118078 -0.12141994 Na 3.08455804 6.14973715 3.03529432 0.14950184 0.05252069 0.16514335 Na 0.03331061 9.15250431 3.05392983 -0.12310454 0.05001249 0.11675077 Na 6.10962104 6.11345009 0.04160549 0.04429659 0.03777125 -0.11858227 Na 9.13825094 9.17664846 0.00548050 0.02318539 0.03659699 -0.10130694 Na 9.19223594 6.25015329 3.06692150 0.03028295 0.00283646 0.18627127 Na 6.16963032 9.31688597 3.06066394 0.04518606 -0.00407864 0.20947039 Na 12.29977420 6.27744965 0.05172499 0.00071528 -0.01668486 -0.08569339 Na 15.35326620 9.20173793 0.01744274 0.02879760 0.02355837 -0.07623126 Na 15.48256531 6.13555560 3.12762629 -0.05131419 0.05485668 0.11512934 Na 12.35878088 9.30028123 3.03201435 -0.02167627 -0.03389897 0.19370825 Na 18.54657678 6.16947780 0.03854194 -0.12395683 0.00331368 -0.11908177 Na 21.56459699 9.21651936 0.04616211 0.10948160 0.01974442 -0.11727693 Na 21.63012100 6.20836219 3.05055747 0.11384633 -0.01409798 0.11267360 Na 18.56616319 9.28006670 3.11220409 -0.18963365 -0.00381601 0.13939663 Na 0.05803733 12.30503516 0.01795353 -0.10358621 -0.00900868 -0.09123479 Na 3.04514212 15.40637408 0.02922317 0.12490457 -0.03573188 -0.13591746 Na 3.07401467 12.32531818 3.12821728 0.14530459 -0.03060278 0.10113366 Na 0.03847098 15.37135320 3.08448177 -0.15124492 -0.00126511 0.07729060 Na 6.12902287 12.27880297 0.02609442 0.04683509 0.04822531 -0.09494258 Na 9.27871373 15.44646845 0.04904588 -0.02224206 -0.03184480 -0.09864889 Na 9.32671170 12.37518353 3.03336394 -0.04744425 -0.04955696 0.19288850 Na 6.15683979 15.38145540 3.12475788 0.04411514 -0.04004840 0.09507273 Na 12.29850184 12.28435531 0.05242622 0.01536036 0.02448169 -0.12043926 Na 15.47185077 15.46352235 0.02115016 -0.05122906 -0.06645163 -0.10020139 Na 15.39360493 12.39953105 3.11644556 0.00227897 -0.03612867 0.11843277 Na 12.33599559 15.39241817 3.14353610 -0.00451288 -0.00112880 0.13125775 Na 18.50003001 12.28860591 0.01872225 -0.12003541 0.01436837 -0.11088476 Na 21.64185086 15.38673895 0.01785650 0.07486367 -0.00779715 -0.08013283 Na 21.55452763 12.33796112 3.05524895 0.11716579 0.01222039 0.12801508 Na 18.46651192 15.47395819 3.13815733 -0.10886359 -0.06223930 0.09118953 Na 0.04676604 18.55930531 0.02159098 -0.14377067 -0.09449508 -0.11853655 Na 3.03567391 21.53111565 0.04003354 0.07509829 0.15208742 -0.12977417 Na 3.10677438 18.45331055 3.02321326 0.11503448 -0.11294222 0.18202756 Na 0.03271912 21.54883010 3.13671530 -0.12864035 0.11593814 0.06773374 Na 6.10779344 18.54775372 0.00736210 0.05665583 -0.12105995 -0.14396282 Na 9.35604730 21.60418709 0.01283097 -0.02233584 0.08919013 -0.10203565 Na 9.13953809 18.55196086 3.02696944 0.04842861 -0.16144063 0.15267033 Na 6.14102349 21.61179139 3.05019956 0.03576268 0.13218224 0.11081901 Na 12.36073012 18.48161928 0.03781216 -0.01909933 -0.10949958 -0.11742282 Na 15.45329373 21.54068698 0.03154344 -0.02085996 0.11199684 -0.11936545 Na 15.40146759 18.52837210 3.03116509 -0.02850470 -0.14138621 0.18320323 Na 12.35635082 21.59213511 3.05908301 0.00824510 0.11546874 0.11726445 Na 18.53654289 18.49240732 0.00424988 -0.07291538 -0.09073653 -0.15394132 Na 21.57732139 21.59574659 0.00255570 0.06326768 0.07010981 -0.06510943 Na 21.53764936 18.55850205 3.09170579 0.16112674 -0.10315991 0.07653874 Na 18.47449171 21.57814033 3.09636632 -0.08320007 0.15092565 0.07854823 Na 0.01031850 0.02208861 6.18320482 -0.11618226 -0.11747017 0.01106881 Na 3.06638471 3.04833977 6.17769335 0.17907418 0.16154873 0.04208623 Na 3.04760697 0.05764626 9.23018317 0.13230729 -0.13488775 0.01784482 Na 0.04298558 3.07211770 9.21666558 -0.12621098 0.12913597 0.02976190 Na 6.24450815 0.03755716 6.20927334 -0.00130250 -0.10190506 0.01815099 Na 9.22836886 3.07744735 6.11901474 0.03520231 0.17693134 0.03720131 Na 9.25622910 0.04225483 9.31306140 0.02410974 -0.09733335 -0.00863397 Na 6.24177889 3.08446310 9.26471636 0.00829567 0.17672161 0.01929893 Na 12.36146058 0.02243396 6.16604321 -0.03383365 -0.08246404 0.03199613 Na 15.42596112 3.09263917 6.20226750 -0.04693184 0.13934133 0.03674171 Na 15.40598698 0.00186398 9.19774571 0.00347926 -0.09854328 0.01906216 Na 12.33986160 3.09323815 9.27517329 -0.01698578 0.15894123 -0.02383070 Na 18.55522425 0.02640808 6.11510709 -0.11263653 -0.14296016 0.05771120 Na 21.55596940 3.07616090 6.10989737 0.14534012 0.11665244 0.03909191 Na 21.65057390 0.04785653 9.23075570 0.08114148 -0.08667089 0.01087452 Na 18.53786249 3.06799810 9.24347264 -0.12479590 0.12955230 0.03252253 Na 0.05449684 6.15667174 6.10859115 -0.09610204 0.03292620 0.05923791 Na 3.10003857 9.27249753 6.16870687 0.15748131 -0.00165450 0.02943167 Na 3.11577078 6.19984140 9.23401370 0.14403625 0.00944793 0.02298748 Na 0.00926506 9.24371445 9.19176282 -0.07140070 0.01126342 0.02571613 Na 6.12610616 6.15921772 6.13862169 0.05329019 0.03761989 0.02919572 Na 9.35596830 9.19619323 6.25787630 -0.03047019 0.05234925 -0.01504054 Na 9.29887757 6.14290569 9.19546239 0.00735363 0.02844901 0.04538532 Na 6.23907071 9.20521422 9.17640832 0.01210606 0.03806215 0.05124670 Na 12.39115325 6.15594578 6.13413473 -0.02225885 0.03649386 0.04424318 Na 15.45068595 9.18871938 6.13343064 -0.02711654 0.01841986 0.05832200 Na 15.48249728 6.11336967 9.29083468 -0.05736831 0.07191485 -0.00264334 Na 12.42509165 9.30401144 9.25276958 -0.03149124 -0.02357104 0.00575383 Na 18.54419790 6.11809496 6.19075588 -0.14953466 0.06969826 0.02774345 Na 21.64580752 9.19590056 6.12161542 0.07294460 0.03700965 0.03859221 Na 21.61674723 6.20915762 9.19037857 0.08566661 -0.00485416 0.02318669 Na 18.51836312 9.22858710 9.27744206 -0.16095841 0.00875325 -0.02499541 Na 0.06068704 12.35393260 6.13812272 -0.12847233 -0.03868395 0.04072665 Na 3.04368261 15.32653774 6.11819214 0.17652226 0.03851177 0.07067343 Na 3.14067252 12.39402847 9.20491697 0.16255800 -0.05389914 0.06894315 Na 0.05825797 15.40894700 9.26932201 -0.10224127 -0.02633808 -0.00940201 Na 6.18547574 12.39370649 6.18229128 0.08069082 -0.06907966 0.03121512 Na 9.22376524 15.38525408 6.14775447 0.05813259 -0.04022334 0.04347303 Na 9.25159586 12.35265834 9.31970516 0.03337452 -0.02334566 -0.04103657 Na 6.25985526 15.43812160 9.21797426 -0.01534617 -0.04130174 0.03825464 Na 12.39493291 12.24803351 6.11776227 -0.03346154 0.03812006 0.09787129 Na 15.45325873 15.44991956 6.18102798 -0.06486041 -0.04663880 0.07003016 Na 15.40564546 12.30051547 9.30033705 -0.05019681 0.03122399 -0.04246821 Na 12.31578249 15.41975295 9.26074083 -0.00906983 -0.07035619 -0.02126736 Na 18.46859675 12.34662159 6.19279231 -0.13707745 -0.02460184 0.04055894 Na 21.52838627 15.45777526 6.13824916 0.10213865 -0.06136904 0.03759142 Na 21.57232487 12.28434782 9.19479652 0.08727521 0.00721946 0.00347358 Na 18.49453563 15.37580871 9.35040430 -0.15681727 -0.00119124 -0.05279464 Na 0.01371770 18.44933253 6.15996362 -0.10310579 -0.07995605 0.03662278 Na 3.08321508 21.62765355 6.11758337 0.10333563 0.09115559 0.05284944 Na 3.11127557 18.50287161 9.24312568 0.15769963 -0.13577108 -0.01285252 Na 0.03907318 21.56818477 9.33501670 -0.08426302 0.09506265 -0.03261316 Na 6.16226892 18.44569937 6.13096028 0.01845248 -0.10099057 0.04992553 Na 9.33291564 21.56674588 6.10937418 -0.02646038 0.08168021 0.06414504 Na 9.20683513 18.47358394 9.25776435 0.04371286 -0.13063052 -0.01679655 Na 6.16933392 21.57008458 9.26153644 0.01941453 0.07868803 -0.01117309 Na 12.30327019 18.48430866 6.12094554 -0.00277785 -0.13904593 0.05007581 Na 15.47177026 21.59901978 6.18298823 -0.05850998 0.07437195 0.02678458 Na 15.32366222 18.47930509 9.26318544 0.02051852 -0.13184945 0.00872853 Na 12.39112614 21.59614988 9.30608513 -0.02375299 0.07468551 -0.02374461 Na 18.51940752 18.48648762 6.18919839 -0.16625244 -0.12305056 0.05416991 Na 21.53736767 21.62902940 6.13349029 0.10514994 0.10361492 0.02141617 Na 21.63685014 18.50120643 9.17669052 0.11071881 -0.08793009 0.02314581 Na 18.53277180 21.56795861 9.21637162 -0.11261399 0.09835202 0.03701296 Na 0.03985554 0.05879526 12.40102410 -0.10335378 -0.09514969 -0.00985279 Na 3.12471113 3.02741697 12.37546863 0.12436986 0.18629634 -0.04028152 Na 3.12120879 0.03922026 15.43938816 0.09526639 -0.13379768 -0.01408233 Na 0.05183348 3.13279258 15.46779615 -0.14274161 0.07234464 -0.04912754 Na 6.15072615 0.04673705 12.36733022 0.03628503 -0.10325518 -0.01887771 Na 9.34022845 3.03350396 12.37247570 -0.03212001 0.20970250 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0.20949747 -0.06904418 -0.00487732 Na 3.08976278 12.27943104 15.36987590 0.16991210 0.04565367 -0.03462194 Na 0.01154565 15.39061655 15.35276192 -0.07949644 -0.00792414 -0.00078101 Na 6.26102058 12.37255305 12.34914748 -0.01979160 -0.04291808 -0.01027591 Na 9.26500430 15.39902781 12.38149504 0.01215591 -0.00991927 -0.02859312 Na 9.29118877 12.38639465 15.40731297 -0.02102323 -0.07247909 -0.02141946 Na 6.22055372 15.46344305 15.46443486 -0.01430252 -0.07653399 -0.05888738 Na 12.27686003 12.38326357 12.39363398 0.02297746 -0.02836329 -0.02180569 Na 15.43171272 15.40338635 12.32904262 -0.05926793 -0.02383757 0.01773436 Na 15.40558213 12.32865976 15.44976335 -0.02796157 0.00632437 -0.06289388 Na 12.33386837 15.43782401 15.41066132 0.02062194 -0.03934227 -0.04390463 Na 18.48581841 12.35347826 12.30775536 -0.12428533 -0.04070804 0.03177867 Na 21.53193378 15.43161477 12.26712199 0.11620739 -0.04157770 0.01778468 Na 21.53838305 12.37232151 15.43543301 0.09037730 -0.02829789 -0.07722578 Na 18.49753095 15.41760762 15.41854964 -0.16281527 -0.01563390 -0.03536144 Na 0.03716585 18.51161789 12.28980497 -0.13931168 -0.10501905 0.01852802 Na 3.06486490 21.55745266 12.42506761 0.12853857 0.13375680 -0.04027124 Na 3.12910757 18.54004029 15.33031815 0.10223463 -0.18098601 0.00612739 Na 0.00574993 21.55543101 15.47747618 -0.11316926 0.09849374 -0.03284977 Na 6.24140752 18.46670639 12.38874266 0.00449919 -0.14406462 -0.04923567 Na 9.25608638 21.53541809 12.28191068 0.00865233 0.08929222 0.02585273 Na 9.21164212 18.46156477 15.44087180 0.04323776 -0.11177347 -0.04733914 Na 6.17602349 21.53382402 15.43518981 0.04637799 0.12422437 -0.05173820 Na 12.33921543 18.49100681 12.32344226 -0.01086518 -0.15397524 0.01267418 Na 15.44744725 21.63415207 12.38521882 -0.02564001 0.06636284 -0.04340825 Na 15.40285621 18.53349789 15.46733904 -0.02238368 -0.18390671 -0.06726683 Na 12.37651569 21.55252048 15.39300025 -0.04693645 0.09091666 -0.02146868 Na 18.56084959 18.51323978 12.35759511 -0.18457026 -0.13733486 -0.03078769 Na 21.55937957 21.52940045 12.40070855 0.10397906 0.10416548 -0.02972910 Na 21.62969637 18.50365654 15.42998887 0.11648557 -0.11183784 -0.00477938 Na 18.44893542 21.58610121 15.37073277 -0.05682193 0.12261249 0.00988452 Na 0.04758395 0.00102715 18.48943564 -0.11776573 -0.11635340 -0.06172010 Na 3.04649560 3.10332170 18.51164464 0.17287102 0.09563899 -0.09035382 Na 3.09005647 0.02199686 21.61418234 0.08121817 -0.11221092 0.10125814 Na 0.02695484 3.04108922 21.64522524 -0.12087476 0.07433707 0.10575704 Na 6.19118496 0.01383210 18.47834030 0.02718487 -0.12224182 -0.08862570 Na 9.20282755 3.05824324 18.46249181 0.03329727 0.14265520 -0.12190235 Na 9.31005232 0.00353138 21.64638344 -0.00481387 -0.09332004 0.08307268 Na 6.25501248 3.03079717 21.60870923 -0.01619682 0.12162864 0.10731401 Na 12.25035711 0.01362880 18.48855119 0.02995391 -0.10231425 -0.10404102 Na 15.47588531 3.12114166 18.56529338 -0.08178446 0.11638613 -0.18979091 Na 15.35796730 0.01353342 21.57581977 0.00399755 -0.11488879 0.08138628 Na 12.39931381 3.04901782 21.61453211 -0.03601071 0.10918707 0.10171265 Na 18.53451248 0.04313474 18.48156379 -0.13057378 -0.17935601 -0.08259305 Na 21.54070187 3.06561196 18.44557251 0.17706164 0.12014974 -0.05366411 Na 21.53529081 0.01586669 21.56286167 0.08188866 -0.07417724 0.07430418 Na 18.51587259 3.04934392 21.54403649 -0.08340757 0.09884658 0.17055654 Na 0.06143530 6.12203788 18.47353817 -0.15848657 0.04708102 -0.07485269 Na 3.04047381 9.24053945 18.48601898 0.15073270 0.02975088 -0.12103137 Na 3.04975305 6.17141103 21.57871967 0.13093631 -0.00335174 0.12950344 Na 0.05125328 9.20127412 21.55740016 -0.10706300 0.02309795 0.08899315 Na 6.12689615 6.17717299 18.47482666 0.05463344 0.02574335 -0.11112604 Na 9.31248123 9.21222375 18.53198675 -0.05034909 0.02951568 -0.17780429 Na 9.29836864 6.09093750 21.53307685 -0.02665165 0.04299963 0.10170759 Na 6.12574469 9.22421472 21.54607313 0.04549900 0.02190133 0.08044192 Na 12.30483471 6.18481866 18.55740972 0.02653143 -0.00097347 -0.20425902 Na 15.44439250 9.26166125 18.48216781 -0.03316904 -0.01995797 -0.12114882 Na 15.42033125 6.11483126 21.58024774 -0.01231726 0.07189703 0.09974311 Na 12.32298079 9.22581419 21.59237959 0.02694400 0.00871816 0.09855556 Na 18.55367398 6.20393307 18.54727194 -0.14619084 0.04582662 -0.12831533 Na 21.60574871 9.28148208 18.44979468 0.10759791 -0.00506416 -0.07946395 Na 21.54555930 6.20204367 21.63094870 0.09440953 0.01347511 0.08216288 Na 18.49614136 9.33133059 21.62306256 -0.09823442 -0.02110499 0.10250691 Na 0.02434246 12.39188543 18.49287124 -0.11556187 -0.02114032 -0.11491132 Na 3.12656283 15.47695958 18.50885432 0.10425989 -0.03707103 -0.16858273 Na 3.02629230 12.41515056 21.57131055 0.13674000 -0.04809395 0.11776310 Na 0.01914352 15.34339094 21.58525438 -0.10372379 0.03606551 0.09473310 Na 6.11602921 12.36881770 18.48045398 0.06978285 -0.03673678 -0.13280210 Na 9.27550414 15.37809006 18.44840084 0.00007238 -0.04031341 -0.09371150 Na 9.30984490 12.29312764 21.59980748 -0.01711095 0.01477818 0.06168836 Na 6.18838525 15.40287995 21.56123684 0.04268945 -0.03189573 0.09063233 Na 12.35451209 12.25518789 18.45668970 -0.01621177 0.03863983 -0.11756333 Na 15.36291565 15.43842514 18.50500070 -0.00083900 -0.02994803 -0.13659996 Na 15.43159560 12.32962861 21.53973642 -0.05412133 0.00495885 0.08501891 Na 12.35140959 15.47667720 21.58075590 -0.01432786 -0.07539320 0.07713706 Na 18.53884154 12.36073949 18.48008244 -0.18072472 -0.02918783 -0.14257759 Na 21.53848536 15.36700499 18.51867681 0.13411894 0.03011551 -0.10592039 Na 21.54650472 12.39389690 21.53510256 0.11947618 -0.03446537 0.11241270 Na 18.52221149 15.38308702 21.60422557 -0.13066602 0.02982521 0.11208962 Na 0.03005346 18.49638286 18.47190110 -0.13750031 -0.11839230 -0.07509638 Na 3.09400281 21.55088077 18.46405301 0.08264020 0.16155242 -0.07931879 Na 3.13846711 18.54137829 21.60235043 0.06124596 -0.11214501 0.15397556 Na 0.04866514 21.56116434 21.54993176 -0.07180041 0.06963413 0.06837233 Na 6.11836520 18.55437818 18.50571876 0.07201353 -0.16135149 -0.10970467 Na 9.20441225 21.57764833 18.47064557 0.02184939 0.11098223 -0.09265833 Na 9.25407083 18.45044401 21.60932676 -0.02059813 -0.07841573 0.09581084 Na 6.14257529 21.62956533 21.58003540 0.03836638 0.09488594 0.09460600 Na 12.26601199 18.47975054 18.46040178 0.01070196 -0.10535675 -0.11584469 Na 15.44872004 21.59116670 18.47933344 -0.04804074 0.11573912 -0.06807069 Na 15.33245550 18.54885614 21.63981750 0.01407100 -0.10336648 0.09120083 Na 12.25975933 21.58804935 21.54364815 0.00104760 0.09518344 0.07568038 Na 18.54658426 18.56126155 18.50123674 -0.13304297 -0.15037071 -0.09682753 Na 21.63465644 21.62581226 18.53392514 0.09093564 0.11098484 -0.08162673 Na 21.63982571 18.55053218 21.60022455 0.09570616 -0.08134292 0.10065020 Na 18.47760974 21.59917868 21.61274701 -0.06074399 0.10066905 0.10582563