500 Lattice="31.39553213567495 0.0 0.0 0.0 31.39553213567495 0.0 0.0 0.0 31.39553213567495" Properties=species:S:1:pos:R:3:forces:R:3 energy=-615.7081750573918 stress="-0.0003098042315753978 -9.841898310294053e-06 -2.7681665480815818e-06 -9.841898310294053e-06 -0.00031703664383291773 -3.885442627322878e-06 -2.7681665480815818e-06 -3.885442627322878e-06 -0.00031196017047457723" free_energy=-615.7081750573918 pbc="F F F" Sr 0.03449471 0.00290742 0.04821996 -0.13836387 -0.15605933 -0.16985676 Sr 3.14187220 3.11746220 0.03276638 0.14548014 0.14645365 -0.31533543 Sr 3.09753635 0.05716713 3.14228178 0.22355265 -0.34240136 0.15568523 Sr 0.00140414 3.08126859 3.09203832 -0.27713304 0.25445151 0.24867410 Sr 6.27551723 0.01515980 0.02358982 0.01428330 -0.20170257 -0.15108971 Sr 9.36743396 3.11506622 0.04207066 0.03854055 0.17920190 -0.23392263 Sr 9.45793455 0.01293183 3.17805748 -0.10231798 -0.25419099 0.09536821 Sr 6.23741270 3.09745677 3.14340788 0.13264594 0.20198201 0.21809564 Sr 12.60177618 0.02797639 0.02914932 -0.01284079 -0.16670959 -0.15756043 Sr 15.70140300 3.15680068 0.02173746 0.04729634 0.13122159 -0.17477627 Sr 15.72542163 0.03768138 3.20034314 -0.02213681 -0.20283504 0.08133091 Sr 12.49155707 3.15516848 3.10399989 0.09429345 0.23941076 0.21021779 Sr 18.89538037 0.01689629 0.05905630 -0.05416493 -0.16408222 -0.15090891 Sr 21.91481188 3.19250307 0.01729876 0.05736960 0.10910166 -0.24830816 Sr 22.05589881 0.04993592 3.10802401 -0.07384752 -0.24102692 0.20252096 Sr 18.85781524 3.20085834 3.14117254 -0.04470579 0.14859164 0.21797208 Sr 25.13939583 0.01108066 0.03468670 -0.11769594 -0.17419748 -0.19437497 Sr 28.21109342 3.12406167 0.03457877 0.22816321 0.10915329 -0.18568733 Sr 28.31107488 0.01302351 3.18660478 0.13573273 -0.16881814 0.09623507 Sr 25.06831583 3.18914356 3.12951116 -0.11720789 0.12710542 0.20550218 Sr 0.05547379 6.25429673 0.04964665 -0.17429224 0.03860349 -0.16507346 Sr 3.10164233 9.44376445 0.05808170 0.15978175 -0.08411819 -0.25997077 Sr 3.19822243 6.20917803 3.15045612 0.10305119 0.11377047 0.23833317 Sr 0.04298316 9.41296048 3.18176139 -0.22364737 -0.07376901 0.13500916 Sr 6.24261649 6.23418739 0.02501675 0.05949017 0.10363662 -0.18733540 Sr 9.48086621 9.40744053 0.04519085 -0.05675595 0.00543523 -0.19453265 Sr 9.40184997 6.28943958 3.12629482 -0.03475962 0.06218636 0.25466013 Sr 6.23652056 9.46409979 3.11268776 0.10495032 -0.10457144 0.32240679 Sr 12.60188477 6.25127487 0.03262320 -0.05434355 0.04938505 -0.19369713 Sr 15.66198573 9.47594428 0.02037379 0.01159184 -0.06458007 -0.17822706 Sr 15.65867829 6.34040130 3.13815744 -0.01555574 -0.03471600 0.20988484 Sr 12.55216024 9.45038346 3.15108457 0.06963796 -0.02194817 0.27315130 Sr 18.86332594 6.28243255 0.04912822 -0.05388448 0.10480248 -0.21010613 Sr 22.05957809 9.47996132 0.03325737 -0.10213829 -0.05243808 -0.18548126 Sr 22.00745251 6.31403159 3.12371500 -0.01732382 0.07837005 0.27114126 Sr 18.80712786 9.39193027 3.10610081 0.06445991 0.03440753 0.23428536 Sr 25.14057636 6.23007335 0.00159413 -0.16543005 0.08564930 -0.22710908 Sr 28.23397172 9.44486556 0.03207445 0.19792301 -0.03822935 -0.16336366 Sr 28.24585686 6.24450514 3.18922661 0.20499431 0.07803420 0.11082556 Sr 25.16387818 9.44128683 3.09298596 -0.22522804 -0.07924111 0.36050160 Sr 0.01492091 12.58104915 0.05870775 -0.19774069 -0.01432756 -0.17789009 Sr 3.08232725 15.73084772 0.05976672 0.21729698 -0.04322798 -0.24823678 Sr 3.14153777 12.51698080 3.11729802 0.18218969 0.07654489 0.31193250 Sr 0.00433169 15.73128061 3.12976037 -0.23551529 -0.05172202 0.20803891 Sr 6.22075710 12.51561077 0.02579046 0.12910215 0.08183556 -0.20517835 Sr 9.46602177 15.71377222 0.05513601 -0.09095493 -0.06711585 -0.20729403 Sr 9.47304154 12.52279081 3.15166852 -0.05163948 0.05455806 0.16369726 Sr 6.24149787 15.64860629 3.14806931 0.07335156 0.07059871 0.19885021 Sr 12.61170509 12.58836411 0.02741887 -0.07052293 -0.03962696 -0.17351963 Sr 15.65487657 15.64217834 0.04282376 0.06866839 0.06808005 -0.18917621 Sr 15.75693621 12.61006087 3.15595640 -0.08142821 -0.06790082 0.25018678 Sr 12.52898995 15.73828017 3.08141284 0.08118356 -0.02907035 0.36154548 Sr 18.79710578 12.52182307 0.04229994 0.05744220 0.04399792 -0.17436250 Sr 21.95420086 15.65817224 0.02675201 -0.01196422 0.05861754 -0.17081283 Sr 21.98530293 12.59602820 3.13672577 -0.05580172 -0.06636717 0.24847657 Sr 18.88627753 15.73496483 3.19432804 -0.03959961 -0.03052752 0.14425418 Sr 25.14632223 12.55387898 0.05696231 -0.16788392 0.06903264 -0.27076297 Sr 28.20088911 15.75245487 0.00525090 0.20370769 -0.07983627 -0.20051566 Sr 28.20726637 12.62012868 3.15099358 0.26202587 -0.06056851 0.15913153 Sr 25.09987780 15.68203311 3.15587005 -0.23403161 0.05532336 0.22000243 Sr 0.01668694 18.86320613 0.03013709 -0.20702240 0.01382080 -0.21780391 Sr 3.17960902 21.96882751 0.01126468 0.13126993 0.00843230 -0.21464689 Sr 3.08072635 18.86548123 3.10441091 0.35612159 -0.04743549 0.26842592 Sr 0.01804683 21.91555751 3.17884347 -0.22827129 0.14025860 0.07732537 Sr 6.26745265 18.79129424 0.05215389 0.05380244 0.01476556 -0.15629140 Sr 9.36846072 21.99751865 0.02255014 0.05871224 -0.10066141 -0.14116010 Sr 9.43140422 18.78095041 3.16456038 -0.09484678 0.12538229 0.24337161 Sr 6.24324921 21.96464975 3.18833557 0.11124644 -0.11124307 0.20310531 Sr 12.55637206 18.87798854 0.04255197 -0.01623416 0.00416985 -0.19695192 Sr 15.64034516 21.97716531 0.02458770 0.07855745 -0.04062217 -0.20005235 Sr 15.74175864 18.84546559 3.07877772 -0.06591454 -0.01656475 0.35027182 Sr 12.57466126 22.01422838 3.14745410 -0.05985968 -0.07890902 0.20105839 Sr 18.77743376 18.79186483 0.03691024 0.09126214 0.03935522 -0.17701646 Sr 21.98855589 21.98798111 0.03080610 -0.05226518 -0.08557552 -0.20463965 Sr 22.03773245 18.88065069 3.19093018 -0.08457134 -0.00084896 0.14236049 Sr 18.88772159 22.02372070 3.11941710 -0.01698617 -0.11522289 0.29952978 Sr 25.16349813 18.80624585 0.01543800 -0.27411171 0.03636543 -0.20340418 Sr 28.22405288 21.97314557 0.05016380 0.19853473 -0.02748092 -0.21920724 Sr 28.27586980 18.78401542 3.09749585 0.17085962 0.06665156 0.26338621 Sr 25.13171593 22.02696449 3.10187723 -0.21822865 -0.13793469 0.32410665 Sr 0.06259137 25.15080082 0.01900085 -0.20659799 -0.16928116 -0.14937519 Sr 3.11754705 28.26351473 0.00020823 0.15583020 0.18817311 -0.20745280 Sr 3.19469526 25.14683874 3.11458772 0.06519224 -0.22144705 0.20192427 Sr 0.02706063 28.29935553 3.17061940 -0.16835580 0.14516640 0.13531712 Sr 6.34072592 25.08536219 0.05219655 -0.02880879 -0.05303718 -0.23933419 Sr 9.51062704 28.28388438 0.03271966 -0.05377049 0.11691008 -0.12425918 Sr 9.37736933 25.06720431 3.15944930 0.04856638 -0.08194395 0.21024622 Sr 6.21916759 28.29433438 3.13908915 0.08748953 0.21566230 0.13948431 Sr 12.60566894 25.09974674 0.03233219 -0.08873985 -0.15413365 -0.20637914 Sr 15.63357562 28.24673471 0.04105061 0.06691618 0.17540310 -0.16321681 Sr 15.72921493 25.07346917 3.14692728 -0.00056388 -0.12652733 0.28812786 Sr 12.58898327 28.23985101 3.15038215 -0.04554835 0.17985166 0.20833368 Sr 18.78328365 25.09257119 0.04173503 0.06025890 -0.09923381 -0.26329579 Sr 22.03392242 28.27804170 0.02933602 -0.09987822 0.14016262 -0.20570856 Sr 22.00123814 25.13981677 3.13790229 -0.08535761 -0.25718414 0.23133031 Sr 18.87006371 28.19488626 3.15208178 -0.04247656 0.20242048 0.15708180 Sr 25.09049497 25.09806409 0.04385033 -0.12231590 -0.11743605 -0.31268246 Sr 28.21598039 28.22028501 0.04065463 0.12968499 0.12153548 -0.13888272 Sr 28.25987684 25.08278815 3.10145416 0.25581435 -0.07007264 0.21128476 Sr 25.08666267 28.27982076 3.08106105 -0.04358114 0.24966023 0.22670916 Sr 0.04439484 0.02510396 6.28529404 -0.16942701 -0.19386725 0.04279396 Sr 3.18191811 3.07678676 6.27227552 0.10382645 0.28899568 0.08832803 Sr 3.17162943 0.03199023 9.50979335 0.07232017 -0.24559642 -0.06059185 Sr 0.00943193 3.09855374 9.41381654 -0.15993016 0.21811291 0.03377110 Sr 6.24662554 0.04169061 6.33903660 0.06704595 -0.21469516 -0.03974303 Sr 9.44040845 3.13669468 6.22013786 -0.09206636 0.26203232 0.18428954 Sr 9.35913038 0.00218008 9.43693790 0.11511404 -0.13913794 -0.06800837 Sr 6.21677381 3.11792043 9.47478131 0.11992368 0.35029960 -0.11474412 Sr 12.49919714 0.06233574 6.23036855 0.07093379 -0.18783477 0.14656986 Sr 15.63723781 3.16694684 6.19172666 0.03257268 0.19770548 0.10838107 Sr 15.63930778 0.02848198 9.46674095 0.08802121 -0.15307589 -0.11003119 Sr 12.59705129 3.19385877 9.45223188 -0.12827533 0.12430149 -0.05498028 Sr 18.85388844 0.01586451 6.24500712 -0.04882651 -0.15059935 0.02509659 Sr 21.98189563 3.13501732 6.22342469 -0.02948785 0.28721507 0.13969161 Sr 21.90179559 0.00465840 9.35652953 0.03951055 -0.14444126 0.04766256 Sr 18.80261433 3.16633044 9.34086912 0.03196082 0.19879474 0.04253913 Sr 25.13464943 0.04697160 6.32152553 -0.17261835 -0.21526177 -0.00624662 Sr 28.22467314 3.14059072 6.25937779 0.23686320 0.17715228 0.07317195 Sr 28.29485158 0.02691071 9.38548410 0.17714255 -0.15760130 0.01222749 Sr 25.14560002 3.16352384 9.46277490 -0.28729893 0.22312445 -0.02612846 Sr 0.06252490 6.26562435 6.33195002 -0.20817664 -0.05634452 -0.09004486 Sr 3.11233313 9.38965471 6.33740698 0.38498820 0.07607530 -0.09969241 Sr 3.10954897 6.33635176 9.37767390 0.27773585 -0.08705432 0.14248234 Sr 0.05414862 9.43859082 9.36708233 -0.27595839 -0.01432037 0.12961065 Sr 6.23493015 6.21735293 6.26499748 0.13424267 0.10686466 0.04431332 Sr 9.46778577 9.44717007 6.28176046 -0.06533930 -0.04682590 -0.00663968 Sr 9.38119359 6.32005994 9.40753522 0.00464052 -0.09530408 0.00378174 Sr 6.32202123 9.38080902 9.39079587 -0.05557784 0.05839843 0.04278945 Sr 12.50980833 6.26086261 6.31460049 0.03716195 0.08251341 -0.02664247 Sr 15.74424003 9.36935943 6.28385900 -0.11027939 0.09384169 0.08543572 Sr 15.66559731 6.21650731 9.42619783 0.08458257 0.14633990 -0.07516364 Sr 12.55839977 9.40885942 9.42045865 0.04670748 0.05819622 -0.09525134 Sr 18.80160911 6.27076183 6.22162913 0.06457093 0.05270722 0.10300489 Sr 21.96581974 9.43928551 6.24682701 -0.02159220 -0.06810581 0.05217579 Sr 21.90306774 6.32764188 9.46810300 0.06137419 -0.02362148 -0.07620114 Sr 18.82419917 9.39800218 9.43643769 0.00404911 0.01394912 -0.06078682 Sr 25.13907315 6.22649350 6.33601067 -0.29717653 0.14659651 -0.00777071 Sr 28.31469173 9.41370436 6.31155118 0.14221265 0.00378789 -0.06249897 Sr 28.22659291 6.33504545 9.47010659 0.21181364 -0.02406920 -0.05051437 Sr 25.17166208 9.42542978 9.38027906 -0.35816322 -0.04512550 0.05546926 Sr 0.04592054 12.51218651 6.23899637 -0.17183725 0.10185752 0.04851152 Sr 3.13636568 15.71459460 6.25045137 0.26439989 -0.04784289 0.10945177 Sr 3.10836035 12.50131981 9.47697578 0.33554634 0.11050899 -0.12768843 Sr 0.00980100 15.75941796 9.34669883 -0.15115330 -0.08850291 0.04492473 Sr 6.34151736 12.59850777 6.22503477 -0.11884935 -0.09890091 0.12589750 Sr 9.40985394 15.65761525 6.27072580 0.06405958 0.06198229 0.05134132 Sr 9.36539727 12.51258142 9.41389657 0.10050456 0.04144872 0.02468512 Sr 6.35489227 15.65650188 9.44416485 -0.09932885 0.00575682 -0.08519459 Sr 12.60027522 12.62894084 6.26081404 0.00374030 -0.10074033 0.09542198 Sr 15.68452062 15.65162106 6.26565799 -0.04378089 0.10073956 -0.00035452 Sr 15.75492015 12.60004772 9.47265703 -0.05255617 -0.10052090 -0.15575986 Sr 12.59659610 15.66432937 9.45684201 -0.07110630 0.07911789 -0.06247702 Sr 18.83548779 12.52176961 6.22157590 0.04105360 0.02665872 0.15166817 Sr 21.98881348 15.73050036 6.24998424 -0.02941714 -0.05629547 0.13907326 Sr 22.02876975 12.53859016 9.43767036 -0.19028677 0.00482657 -0.03884392 Sr 18.79109891 15.73355893 9.36336454 0.15014574 -0.08424125 0.05205561 Sr 25.09936581 12.50141676 6.29866655 -0.20564811 0.04761298 -0.00078691 Sr 28.19921612 15.66619676 6.23050820 0.16047132 0.04137777 0.13241515 Sr 28.25330144 12.51295375 9.43500298 0.17571079 0.09198456 -0.03188266 Sr 25.09922466 15.68271999 9.41754486 -0.16013028 0.04795240 -0.05411307 Sr 0.04998430 18.86181037 6.22044891 -0.19873056 -0.04175645 0.08158252 Sr 3.13695943 21.99354120 6.23511267 0.24192801 -0.05925803 0.09759033 Sr 3.08101774 18.88199322 9.46182887 0.35561731 -0.06674784 -0.08264206 Sr 0.00318632 21.92502024 9.36933627 -0.18126996 0.04097189 0.05906341 Sr 6.24040181 18.85513664 6.31966700 0.04898707 -0.05664288 -0.03386114 Sr 9.49160758 22.02581748 6.30212033 -0.10375492 -0.09714570 -0.04481627 Sr 9.40007741 18.83048358 9.34638347 0.08714438 -0.01859668 0.03715668 Sr 6.33734892 21.99263434 9.34692619 -0.05921765 -0.03324907 0.08549448 Sr 12.52072557 18.89670350 6.22930765 0.10470255 -0.15373576 0.07577125 Sr 15.67792355 21.98757706 6.24239677 0.04555506 -0.04853882 0.08111542 Sr 15.73133566 18.79182280 9.39067519 -0.08189853 0.03783081 0.00061044 Sr 12.59245410 21.92553980 9.39864560 -0.01761122 0.06824962 0.02427294 Sr 18.79394560 18.79621071 6.26764731 0.06243083 0.14386034 0.04740536 Sr 21.98699551 21.99309368 6.35586441 -0.07483574 -0.06131494 -0.03983178 Sr 22.00732300 18.84143937 9.45725620 -0.10063354 0.04898296 -0.03596714 Sr 18.77708057 22.02690895 9.44547498 0.05469260 -0.16720724 -0.00853801 Sr 25.09943167 18.88465524 6.32266662 -0.16647446 -0.02944930 -0.05687465 Sr 28.28894648 21.98089336 6.26862166 0.13751994 -0.01537046 -0.02567137 Sr 28.20492799 18.89385354 9.37067835 0.16746943 -0.08098563 0.03235078 Sr 25.12939049 22.02409760 9.39634453 -0.19233595 -0.04647693 0.05558191 Sr 0.04829522 25.08159034 6.32577424 -0.25482665 -0.12488276 -0.06739100 Sr 3.10555376 28.20226963 6.36354141 0.19995360 0.27461125 -0.08302146 Sr 3.15610803 25.11717164 9.36585756 0.20703293 -0.29888374 0.15756818 Sr 0.03964794 28.29038595 9.40797363 -0.17211200 0.13873760 0.07785965 Sr 6.22110560 25.13074805 6.22037862 0.12924724 -0.19673840 0.09071263 Sr 9.37276119 28.31745490 6.29308015 -0.00686039 0.12100305 -0.02689249 Sr 9.37373009 25.11400717 9.35609362 0.05602234 -0.17795273 0.10859585 Sr 6.24549156 28.25364511 9.45841705 0.06349146 0.14668819 -0.01700932 Sr 12.53365114 25.15384934 6.25393570 0.07625952 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