500 Lattice="31.37213995032554 0.0 0.0 0.0 31.37213995032554 0.0 0.0 0.0 31.37213995032554" Properties=species:S:1:pos:R:3:forces:R:3 energy=-620.238881919794 stress="-0.0003131016946622297 3.228294595331737e-05 -2.9432129903147957e-05 3.228294595331737e-05 -0.00031747941016746847 3.2298361267604496e-06 -2.9432129903147957e-05 3.2298361267604496e-06 -0.00032214166836253835" free_energy=-620.238881919794 pbc="F F F" Sr 0.04250775 0.03720288 0.03087280 -0.12349794 -0.13024163 -0.11376007 Sr 3.17629324 3.08483952 0.00718502 0.10062122 0.23162142 -0.23466897 Sr 3.14471860 0.04971840 3.19722899 0.18175311 -0.28382674 0.13160017 Sr 0.04871245 3.10409608 3.18865245 -0.26196070 0.19057324 0.12936224 Sr 6.21745040 0.02804927 0.01090746 0.09931608 -0.18522875 -0.13836430 Sr 9.48319277 3.11169208 0.01898589 -0.12682951 0.16217760 -0.21508732 Sr 9.40626201 0.02073069 3.19869846 0.05085218 -0.22107610 0.08145986 Sr 6.32118199 3.16177520 3.13339607 -0.03986118 0.23414145 0.21165902 Sr 12.51127132 0.04020907 0.02764095 0.03476006 -0.22536380 -0.17000017 Sr 15.63019505 3.17732619 0.00166623 0.09727380 0.18916520 -0.17062648 Sr 15.64776765 0.03122339 3.16604026 0.01446638 -0.23656919 0.12347769 Sr 12.56819539 3.14336850 3.10821526 -0.02095266 0.21299301 0.28790218 Sr 18.80168713 0.00105685 0.05900128 -0.01197931 -0.13340006 -0.17579347 Sr 21.96698026 3.17684634 0.04658233 -0.05517942 0.08676945 -0.21077214 Sr 21.92839061 0.03375793 3.16541196 0.03695276 -0.26336050 0.13157124 Sr 18.81706734 3.09660790 3.18386723 -0.04142073 0.37027318 0.14006165 Sr 25.14849038 0.00802664 0.01872445 -0.18615193 -0.18261132 -0.19779927 Sr 28.28351265 3.08393739 0.05441714 0.18673090 0.14508789 -0.19469049 Sr 28.17679086 0.00161604 3.16368315 0.22940483 -0.20665810 0.15383943 Sr 25.08089097 3.10083349 3.16335672 -0.17754054 0.23886244 0.18453622 Sr 0.02618022 6.25190678 0.06213315 -0.18073853 -0.01639162 -0.18587875 Sr 3.11870835 9.38938213 0.01074326 0.21361352 0.02611605 -0.22026217 Sr 3.12636576 6.27476163 3.12913952 0.25368841 -0.06578587 0.25692426 Sr 0.03609397 9.36596311 3.18683221 -0.23899727 0.04256179 0.18273504 Sr 6.27271754 6.25107771 0.00322412 0.05484989 0.02324857 -0.16279919 Sr 9.46295839 9.32792532 0.04621091 -0.11257619 0.07846498 -0.13591340 Sr 9.45093745 6.25206561 3.17363550 -0.07088965 0.07863508 0.20007648 Sr 6.23789479 9.36291659 3.15484912 0.13953154 0.06196962 0.15260535 Sr 12.46745658 6.25849047 0.03977140 0.13155326 0.04775347 -0.21155560 Sr 15.71806813 9.41342395 0.04639005 -0.04264308 -0.01934907 -0.23608390 Sr 15.66367865 6.37708333 3.17719965 0.06673973 -0.15455223 0.16083100 Sr 12.61751469 9.36118634 3.13165133 -0.14602956 0.08036899 0.30223932 Sr 18.87633834 6.32879837 0.01912428 -0.05474369 -0.06900310 -0.16398550 Sr 22.01132160 9.46662487 0.03466844 -0.05865916 -0.06797517 -0.24481451 Sr 21.99450982 6.32908923 3.12689295 -0.07143877 -0.06456018 0.27969785 Sr 18.83670893 9.35201455 3.10230547 0.02640483 0.12660400 0.30327883 Sr 25.09337392 6.22064100 0.00097405 -0.12725524 0.04682159 -0.24372329 Sr 28.24312817 9.41507188 0.02042466 0.15755063 0.00977320 -0.15857407 Sr 28.17803092 6.28389045 3.07962052 0.19933072 0.02218493 0.24091606 Sr 25.03667061 9.42389387 3.07469971 -0.07832931 0.01611445 0.38995257 Sr 0.03060157 12.50484652 0.00568154 -0.17929195 0.01803149 -0.15757028 Sr 3.18761677 15.66145383 0.03372214 0.10720730 0.00197983 -0.23327948 Sr 3.10083815 12.53901096 3.12299986 0.27934887 0.02031834 0.24600515 Sr 0.00068848 15.69634977 3.10501237 -0.23854805 -0.07443013 0.17209990 Sr 6.32474533 12.57211030 0.04644744 0.00712623 -0.10794923 -0.16279151 Sr 9.46276466 15.63092305 0.05207434 0.02874201 0.06109840 -0.24379605 Sr 9.43958841 12.55522960 3.15412987 -0.02827397 -0.16712510 0.25282254 Sr 6.33379680 15.72539511 3.07905140 -0.05537927 -0.07960176 0.38809417 Sr 12.51190446 12.45715536 0.01382246 0.07225117 0.06404951 -0.17205303 Sr 15.71912875 15.70356625 0.03250400 -0.05012128 -0.07887622 -0.10948389 Sr 15.63964598 12.50710436 3.16967856 0.13240956 0.08608463 0.13683644 Sr 12.48787909 15.63653988 3.14969848 0.16534080 0.07278494 0.16185004 Sr 18.86765304 12.48632261 0.01385934 -0.06033596 0.11726575 -0.14305836 Sr 21.99694161 15.78253961 0.01982098 -0.03212226 -0.11958382 -0.18416908 Sr 21.91731289 12.59829651 3.09667616 -0.00935569 -0.04063338 0.24401046 Sr 18.85267505 15.72894843 3.17989687 -0.08353457 -0.08933665 0.19014201 Sr 25.11101028 12.49858836 0.02657930 -0.17828496 0.08317148 -0.22542863 Sr 28.17323099 15.61966324 0.02393005 0.21119434 0.04352169 -0.19425297 Sr 28.25008018 12.59293548 3.17046198 0.19366741 -0.08521709 0.21308551 Sr 25.14352461 15.68756805 3.12561642 -0.22515525 0.04197179 0.28288519 Sr 0.04522204 18.80953061 0.05039573 -0.18290531 -0.00938712 -0.21286101 Sr 3.12232623 21.93310281 0.03276273 0.16491033 -0.01758931 -0.21806406 Sr 3.10564100 18.77269912 3.16324848 0.27188596 -0.03531796 0.13929973 Sr 0.02647364 21.90748553 3.17254106 -0.25300493 0.03883758 0.12263612 Sr 6.32242083 18.75946476 0.05373174 0.00711686 0.05610355 -0.22714887 Sr 9.47524873 21.88440589 0.02647012 -0.06613279 0.02613597 -0.16224098 Sr 9.46151640 18.77405645 3.18312244 -0.03297069 0.10607494 0.21987731 Sr 6.22727134 21.86067743 3.11006739 0.12158836 0.06329893 0.27827602 Sr 12.56434965 18.84688820 0.05387597 -0.02206273 -0.13393607 -0.20948329 Sr 15.65620977 21.89200991 0.04351741 0.12207837 0.05398227 -0.20643740 Sr 15.65962543 18.87479414 3.13823001 0.04175335 -0.11966170 0.31487418 Sr 12.59906202 21.91105951 3.12210883 -0.07703770 0.07606382 0.33510474 Sr 18.84717599 18.79017903 0.05168028 -0.01898492 0.08104783 -0.15883372 Sr 21.95194562 21.99604648 0.04733614 -0.01362490 -0.08702329 -0.21473402 Sr 22.01314924 18.84793911 3.12392405 -0.08725393 -0.03717004 0.27529272 Sr 18.82278441 21.98302483 3.19990566 -0.04299903 -0.07600402 0.17727332 Sr 25.14982559 18.80617215 0.05577846 -0.18170956 0.04331388 -0.24722915 Sr 28.22530231 21.90150047 0.04440942 0.15955988 0.05985908 -0.16236322 Sr 28.28069332 18.86309634 3.14911708 0.17045123 -0.08163544 0.19324068 Sr 25.04169401 21.92478656 3.17046455 -0.11069096 0.09599116 0.21202362 Sr 0.01249320 25.13750763 0.00336588 -0.16789108 -0.13204007 -0.16618821 Sr 3.18405543 28.29387089 0.05040395 0.10233279 0.15516052 -0.21375899 Sr 3.07625300 25.11273677 3.16166246 0.30040362 -0.24628014 0.19818892 Sr 0.04157298 28.28255345 3.13491943 -0.23097702 0.17371370 0.12425187 Sr 6.27237862 25.04678988 0.04186526 0.03006537 -0.12489678 -0.20115996 Sr 9.43686540 28.28016657 0.02155785 -0.01096231 0.08726336 -0.13658407 Sr 9.37857727 25.03509567 3.12919126 0.06695153 -0.17980482 0.19126990 Sr 6.25539529 28.24333904 3.13751669 0.04533302 0.16180846 0.17697144 Sr 12.61057585 25.05287414 0.05240632 -0.06901483 -0.10113593 -0.23293063 Sr 15.74516158 28.25510495 0.00141450 -0.02003407 0.15588482 -0.20099513 Sr 15.66405147 25.15596167 3.13537915 0.00665274 -0.34140892 0.22384016 Sr 12.59975395 28.25078947 3.08941444 -0.07054240 0.17007279 0.22390820 Sr 18.82184990 25.08027420 0.03822045 -0.06655541 -0.16297513 -0.22800840 Sr 21.95592586 28.22765954 0.05833881 -0.00819641 0.18054177 -0.17822140 Sr 21.90378630 25.11122828 3.09465372 0.05652995 -0.20968550 0.36111052 Sr 18.78048804 28.26911623 3.14852280 0.07372029 0.21513792 0.13535550 Sr 25.12265721 25.10037947 0.05575955 -0.14951514 -0.17412175 -0.24337208 Sr 28.22773885 28.20676572 0.05049562 0.12033315 0.13857019 -0.13074019 Sr 28.26238330 25.12892318 3.15788447 0.19373649 -0.22505910 0.14988531 Sr 25.11790085 28.20769051 3.18726196 -0.16366890 0.23125368 0.14876511 Sr 0.04375229 0.01825411 6.31806767 -0.20216598 -0.23167592 -0.01284379 Sr 3.16978915 3.09339046 6.32756486 0.26384870 0.29350639 -0.09713483 Sr 3.16052640 0.04846471 9.40868998 0.16971369 -0.28938627 0.03253463 Sr 0.01634038 3.09116847 9.35397686 -0.24765230 0.16934337 0.11943552 Sr 6.36041838 0.01969819 6.23965968 -0.05444342 -0.21448151 0.07264713 Sr 9.37460528 3.17439576 6.24180220 0.07968272 0.20030493 0.11793165 Sr 9.36673817 0.04212117 9.47228038 0.06733242 -0.21443627 -0.10991148 Sr 6.23796483 3.11720360 9.35754698 0.09182305 0.35064211 0.11094716 Sr 12.58412109 0.05333815 6.32772199 -0.07980553 -0.16256093 0.03651341 Sr 15.63087462 3.16751712 6.22999430 0.07511068 0.24032645 0.13328851 Sr 15.68903082 0.03426684 9.45843213 0.00765325 -0.13559748 -0.04399022 Sr 12.45431375 3.15157211 9.46035331 0.10538181 0.20983852 -0.11137330 Sr 18.79952184 0.05307586 6.30639388 -0.05578641 -0.19578587 0.03074290 Sr 21.96439547 3.08154575 6.28701219 -0.06092023 0.35256381 0.06128738 Sr 21.89619018 0.01076250 9.40038114 0.08034961 -0.17808001 0.02457947 Sr 18.82386367 3.15679741 9.46589230 -0.06053022 0.30272786 -0.10358855 Sr 25.12901365 0.02621740 6.31584937 -0.22905105 -0.24342682 -0.00553817 Sr 28.23406140 3.17331499 6.30928410 0.24439382 0.16342584 -0.08055470 Sr 28.18277045 0.02816637 9.36719825 0.19460089 -0.16544202 0.10019396 Sr 25.14988800 3.17978024 9.37409296 -0.30936721 0.14430209 0.12121719 Sr 0.05806365 6.21687160 6.33791612 -0.22174752 0.08672922 -0.05536323 Sr 3.19093217 9.38428808 6.26088478 0.15166187 0.07208602 0.08883268 Sr 3.08161644 6.26634375 9.35123940 0.32832833 0.05452238 0.16356713 Sr 0.01900027 9.46685229 9.41115198 -0.16188850 -0.07887656 0.03636392 Sr 6.29458519 6.33444893 6.29153351 -0.00630837 -0.07953417 0.01469928 Sr 9.44036800 9.35966145 6.32206404 0.03611613 0.12096686 -0.12041651 Sr 9.43247436 6.33405642 9.38453069 -0.05273839 -0.07744783 0.08224778 Sr 6.32152637 9.41194278 9.40125010 -0.13920843 0.05945186 0.07202919 Sr 12.53236530 6.25109504 6.25785239 0.03675169 0.03951937 0.06715920 Sr 15.71060726 9.45865929 6.25665461 0.00219891 -0.05453247 0.10102592 Sr 15.67849504 6.25647417 9.35640807 0.05978406 0.07094923 0.07840664 Sr 12.58743376 9.39384144 9.35730592 0.00402487 0.08348189 0.08070105 Sr 18.85865591 6.32761043 6.25555179 -0.00393851 -0.07118995 0.08524305 Sr 21.93745731 9.44867174 6.31241672 0.04962278 -0.04596944 -0.06356287 Sr 22.00435571 6.30262869 9.45234084 -0.11546996 -0.02755988 -0.08961100 Sr 18.88123867 9.43708219 9.40158039 -0.12612924 -0.09451884 0.09987613 Sr 25.05309392 6.24435901 6.25909980 -0.17935406 0.10801747 0.00814123 Sr 28.29155194 9.36268957 6.33606052 0.08611221 0.04622073 -0.10537894 Sr 28.27913523 6.25935530 9.40255009 0.15156198 0.07955785 0.07670610 Sr 25.13113128 9.39610236 9.34954504 -0.22506350 0.06332903 0.03641895 Sr 0.05497615 12.56631667 6.33036815 -0.21836522 -0.06246110 -0.11488205 Sr 3.09204979 15.67891582 6.26724498 0.41810109 0.00667139 0.02623547 Sr 3.09046696 12.59319928 9.40244273 0.48962881 -0.11217870 0.03281382 Sr 0.05936861 15.63002292 9.35825827 -0.21750121 0.15887166 0.08382662 Sr 6.29682833 12.52840244 6.22142653 -0.02247103 0.08067487 0.06503696 Sr 9.45764704 15.67337625 6.22488771 -0.10084343 -0.00972565 0.12446343 Sr 9.34195520 12.52559084 9.36496707 0.12571611 0.07722247 0.05087469 Sr 6.31471284 15.73470885 9.44670377 -0.06377264 -0.10555774 -0.12820970 Sr 12.58446446 12.57869373 6.25855676 -0.08779638 -0.11296568 0.09632790 Sr 15.63875919 15.65144182 6.23136591 0.07233898 0.07747413 0.07583955 Sr 15.71905806 12.51924945 9.40005670 -0.05220269 0.02599492 0.03883010 Sr 12.50205748 15.65030176 9.40006378 0.03064112 0.01147305 0.05768152 Sr 18.87136350 12.48998669 6.29253960 -0.10052662 0.10042626 -0.06899007 Sr 21.99791403 15.62483069 6.21584606 -0.10940448 0.13528710 0.11380775 Sr 21.92997495 12.55882753 9.36485949 0.10005664 0.02653295 0.06337577 Sr 18.77814274 15.65190674 9.41122879 0.02915793 0.08130248 -0.10345875 Sr 25.04358452 12.58295952 6.21762036 -0.10171332 -0.08534147 0.05481400 Sr 28.27908556 15.75684598 6.33251995 0.12229811 -0.01175104 -0.05183889 Sr 28.18499471 12.59553773 9.36395353 0.12577003 -0.01530116 0.04992202 Sr 25.09322839 15.74295505 9.35085520 -0.23952595 -0.07541347 0.09614647 Sr 0.03885466 18.76321972 6.26343078 -0.23589626 0.02395965 0.07641016 Sr 3.14317209 21.84618107 6.22077398 0.24830146 0.11973520 0.10437546 Sr 3.11297675 18.89408176 9.46375905 0.27891337 -0.16900342 -0.04927606 Sr 0.03122535 21.90217174 9.43401006 -0.19372306 0.05815705 -0.02973364 Sr 6.24575304 18.81742317 6.25407758 0.09142318 -0.05895647 0.06999427 Sr 9.45417374 21.97836145 6.33268151 -0.10266308 -0.13782613 -0.06383311 Sr 9.37204074 18.75619215 9.36727685 0.11938790 0.08665088 0.04770913 Sr 6.24034081 21.87788052 9.47347521 0.07941844 0.07164516 -0.05742855 Sr 12.52698922 18.86159398 6.29238628 0.08083926 -0.06434126 0.08181066 Sr 15.64273015 21.97751709 6.35375503 0.04198039 -0.06359604 -0.01083972 Sr 15.71715704 18.76425162 9.46862619 -0.07469215 0.03882886 -0.09726227 Sr 12.54016794 22.01660498 9.42461106 0.03631285 -0.12523001 0.09571390 Sr 18.84111978 18.82233527 6.23225245 -0.04860574 -0.04209012 0.11121165 Sr 21.99148255 21.91467731 6.30358509 -0.10690415 0.11968645 -0.04715143 Sr 21.97583749 18.87355597 9.36507532 -0.14837229 -0.11632066 0.11694374 Sr 18.85809082 22.01131016 9.32467780 -0.09257793 -0.13753691 0.08851573 Sr 25.04969174 18.87259165 6.33192882 -0.10804841 -0.11246045 -0.11716627 Sr 28.25034701 21.97921563 6.21679493 0.13262547 -0.00776649 0.03921395 Sr 28.23371593 18.90495599 9.36615022 0.18224534 -0.02348677 0.07359697 Sr 25.08729734 21.91468113 9.39629047 -0.19404340 0.06822846 0.12954721 Sr 0.03865079 25.05864012 6.31728409 -0.25538968 -0.16445415 -0.02974608 Sr 3.09995258 28.23608983 6.25359330 0.25656734 0.19912852 0.03682335 Sr 3.11582236 25.04700853 9.35112190 0.30087239 -0.21691698 0.10026904 Sr 0.06159753 28.24956044 9.35824043 -0.17298481 0.17214292 0.04897091 Sr 6.33464026 25.07017598 6.31018333 -0.15236714 -0.26663979 -0.08283367 Sr 9.39698118 28.19986567 6.22027092 0.04740222 0.19316119 0.04810577 Sr 9.29783464 25.08957559 9.35389333 0.14242573 -0.22139435 0.14031703 Sr 6.22724479 28.18704085 9.44919692 0.03499995 0.20766322 -0.05253401 Sr 12.51898128 25.04591799 6.32139910 0.06930502 -0.08262102 -0.04529405 Sr 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