256 Lattice="25.31311310023393 0.0 0.0 0.0 25.31311310023393 0.0 0.0 0.0 25.31311310023393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-289.5374795567871 stress="-0.00033716976524124197 4.397305182176057e-05 -4.769592063383473e-06 4.397305182176057e-05 -0.0003313503592608314 1.1962413712819923e-05 -4.769592063383473e-06 1.1962413712819923e-05 -0.0003564262009294527" free_energy=-289.5374795567871 pbc="F F F" Sr 0.01750868 0.03223997 0.03908878 -0.11773701 -0.11390862 -0.15229496 Sr 3.15132484 3.22520472 0.04019114 0.16083499 0.09482561 -0.25079361 Sr 3.12314930 0.02532992 3.11092836 0.26390187 -0.22589395 0.19411052 Sr 0.04686956 3.11205118 3.14416129 -0.25561398 0.24950565 0.19185250 Sr 6.33488158 0.03788808 0.01219502 -0.01159173 -0.13889901 -0.15696375 Sr 9.54965651 3.12055547 0.02299072 -0.03092342 0.23301280 -0.20201810 Sr 9.46868498 0.06127758 3.16232062 -0.01137944 -0.22920342 0.16958722 Sr 6.34130606 3.16852630 3.13159334 -0.00723105 0.20005738 0.31562644 Sr 12.75123876 0.06320615 0.05531527 -0.03857609 -0.19271687 -0.14612962 Sr 15.86950006 3.12000932 0.05592599 -0.07284890 0.27875438 -0.18588779 Sr 15.84374938 0.00474106 3.21611737 -0.03070189 -0.16429874 0.17650320 Sr 12.60359271 3.16134916 3.17684420 0.07573451 0.26463251 0.21225654 Sr 18.92564860 0.04391494 0.01658792 -0.04252408 -0.18817010 -0.15046452 Sr 22.15313457 3.16998469 0.01075500 0.14132331 0.10504255 -0.17261716 Sr 22.13901515 0.04623453 3.16273916 0.15954873 -0.15713064 0.09502545 Sr 19.00542310 3.21572205 3.17093158 -0.17831454 0.14959067 0.24436400 Sr 0.01600464 6.32380081 0.03019429 -0.16930819 0.03062721 -0.16330922 Sr 3.16968415 9.51644386 0.04021969 0.13001290 -0.07721333 -0.24947840 Sr 3.10201994 6.37930126 3.15769323 0.32508118 -0.05687932 0.25767934 Sr 0.02101895 9.44889786 3.18501313 -0.21097325 0.06589754 0.12677228 Sr 6.30694757 6.29978367 0.05112826 0.05222741 0.05849068 -0.16014360 Sr 9.45574683 9.50880106 0.05179611 0.01521242 0.03840283 -0.14284794 Sr 9.44552130 6.39962296 3.16863478 0.03360059 -0.04226139 0.26824058 Sr 6.25939844 9.55036668 3.15045394 0.10372266 -0.09501153 0.27359301 Sr 12.63364396 6.38024683 0.01728701 0.00898164 -0.07015229 -0.14027925 Sr 15.85676779 9.40327583 0.02755896 -0.05859127 0.08586622 -0.14663816 Sr 15.82378521 6.27107849 3.17103124 -0.03727601 0.01777604 0.24899768 Sr 12.70419923 9.43087314 3.15157198 -0.08434842 0.07161879 0.22345334 Sr 19.01548047 6.37451997 0.05042118 -0.14898233 -0.06962193 -0.24067289 Sr 22.10263348 9.56404942 0.02685837 0.19698055 -0.03663855 -0.16648043 Sr 22.15134971 6.32340761 3.15476689 0.22445846 0.03022211 0.17595957 Sr 19.00414903 9.43482014 3.11957906 -0.24752723 0.07955215 0.30866048 Sr 0.03443527 12.61713448 0.01471829 -0.16785384 0.03286743 -0.13337640 Sr 3.16321349 15.83871320 0.02588334 0.11974041 -0.05666452 -0.19488240 Sr 3.13828423 12.61550573 3.10332286 0.20398184 0.06277339 0.31895879 Sr 0.04898160 15.83996270 3.18625874 -0.22081514 -0.06836618 0.07087844 Sr 6.26687524 12.64121990 0.03495435 0.11621173 0.06286650 -0.18908293 Sr 9.52500779 15.87025931 0.00724336 -0.07617323 -0.10843110 -0.13242577 Sr 9.49808277 12.67368760 3.17194175 0.05486908 -0.04353786 0.17288136 Sr 6.32705493 15.73494878 3.19152073 0.05849787 0.04148790 0.19479223 Sr 12.70669523 12.67169243 0.01319835 -0.03919584 -0.08165954 -0.10940097 Sr 15.76931521 15.81651690 0.03941148 0.07692277 -0.03107082 -0.13807058 Sr 15.83530643 12.61532578 3.20373558 0.00777959 0.04618191 0.11490792 Sr 12.63848499 15.81190878 3.14521017 0.01399894 -0.04909114 0.25983110 Sr 18.97126858 12.62663778 0.00003225 -0.21139690 0.05559617 -0.14269283 Sr 22.13307862 15.77291393 0.02136169 0.14805341 -0.01343798 -0.13961500 Sr 22.10196126 12.61469882 3.20211766 0.17046764 0.06106229 0.13270447 Sr 19.02810098 15.87558637 3.14296181 -0.26749419 -0.15342118 0.21036268 Sr 0.00275950 18.99162706 0.05943869 -0.16703092 -0.12159981 -0.17119217 Sr 3.15571854 22.12091675 0.00633276 0.11263991 0.15353062 -0.16680812 Sr 3.18773581 18.93402560 3.17719976 0.19264964 -0.10844847 0.17356354 Sr 0.00319961 22.17576692 3.12764986 -0.12248305 0.15960100 0.14528391 Sr 6.26932291 18.93853562 0.04634382 0.10084806 -0.09428441 -0.16630602 Sr 9.49670444 22.20921089 0.06056935 -0.04353149 0.09590471 -0.16862228 Sr 9.49252776 19.03586937 3.11573760 -0.07372324 -0.24095445 0.23988984 Sr 6.26840092 22.19383197 3.16393300 0.05784275 0.13507823 0.12210051 Sr 12.64773063 18.94598557 0.04354806 0.03181541 -0.04999238 -0.18416207 Sr 15.81804239 22.15343135 0.02823079 -0.00307784 0.10566591 -0.11640107 Sr 15.86218135 18.94647149 3.16289346 -0.12358303 -0.13161710 0.18101735 Sr 12.63435002 22.20556533 3.13094635 0.06152210 0.12715385 0.20691814 Sr 19.01057615 18.99403250 0.00638466 -0.16059580 -0.15867842 -0.22186884 Sr 22.10337474 22.13723820 0.04628031 0.11457973 0.08985463 -0.08186532 Sr 22.16469246 18.92307302 3.21674270 0.24607237 -0.05950205 0.04936623 Sr 19.01495519 22.09372586 3.20226245 -0.15896972 0.23150034 0.06765985 Sr 0.05535281 0.02807354 6.27494063 -0.15475337 -0.15055075 0.09768057 Sr 3.13636301 3.15510034 6.38111961 0.22221074 0.22394871 -0.07524240 Sr 3.12177918 0.04396716 9.58987486 0.22919193 -0.22664128 -0.06972619 Sr 0.05215636 3.18865221 9.56908128 -0.26520182 0.15505265 -0.12081592 Sr 6.29863269 0.00748337 6.38810462 0.01370600 -0.12106006 -0.02730032 Sr 9.55187664 3.11320085 6.40206949 -0.13787232 0.30910273 -0.08146706 Sr 9.50169847 0.03544993 9.54117140 -0.04983920 -0.19808798 -0.04014443 Sr 6.27934116 3.20119861 9.44599422 0.08018833 0.16133909 0.08522084 Sr 12.59742283 0.03263029 6.31412633 0.07665569 -0.19645011 0.03801899 Sr 15.86367976 3.10096770 6.37631320 -0.05665231 0.29803048 -0.02512416 Sr 15.82653761 0.02016741 9.52052909 -0.07340647 -0.16051114 -0.00516408 Sr 12.61415195 3.14706263 9.45984724 0.16754489 0.21848458 0.06894803 Sr 19.03725758 0.00060148 6.31327604 -0.17076831 -0.17519741 0.04418671 Sr 22.16161058 3.17377839 6.37503319 0.13965671 0.19378217 -0.04042758 Sr 22.20288951 0.04788129 9.43603172 0.09616807 -0.14729559 0.07961028 Sr 18.97373685 3.15852623 9.50245681 -0.13300012 0.27753710 0.02656963 Sr 0.04852354 6.38529774 6.29738246 -0.18532568 -0.06704932 0.07473378 Sr 3.20312564 9.47592370 6.35885121 0.18636278 0.02634927 -0.01237222 Sr 3.10769165 6.33403344 9.49121649 0.28835123 0.04012383 0.01512535 Sr 0.03542294 9.47792109 9.54895211 -0.15696517 0.03323728 -0.04556835 Sr 6.34707603 6.26700697 6.32624267 0.03368701 0.08967846 0.00716117 Sr 9.45575039 9.55114110 6.35885080 0.07445255 -0.10576009 0.02272529 Sr 9.56619137 6.27224665 9.53668437 -0.08970806 0.14083312 -0.08508503 Sr 6.30173460 9.46408510 9.45798345 0.11205199 0.01820158 0.09245274 Sr 12.67659325 6.29398575 6.30665208 -0.04530403 0.05346063 0.03721948 Sr 15.77281514 9.49792851 6.29964581 0.08518315 -0.05660994 0.02470092 Sr 15.86133068 6.36083491 9.44191358 -0.04555552 -0.05306209 0.04093043 Sr 12.71941941 9.44320992 9.46347595 -0.09827172 0.05181108 -0.00354078 Sr 19.01667906 6.43713701 6.31072725 -0.23948346 -0.10026887 0.02560965 Sr 22.19791628 9.53517614 6.31855793 0.12330652 -0.00477439 0.01518913 Sr 22.19170606 6.37053464 9.43272307 0.10838299 -0.03423034 0.08456194 Sr 19.03259922 9.43185731 9.48092449 -0.25918873 0.12742579 0.02988717 Sr 0.05468699 12.67010738 6.23514193 -0.15740949 -0.08757198 0.08251236 Sr 3.12229000 15.82981231 6.30366438 0.30603976 -0.07521758 0.07382725 Sr 3.16067476 12.63105190 9.44470588 0.27639683 0.00715087 0.07466449 Sr 0.01089861 15.70854517 9.47292644 -0.13979917 0.10218267 -0.01008913 Sr 6.36399824 12.62840225 6.29176997 -0.02732786 0.09666676 0.12120740 Sr 9.56118540 15.84262243 6.32133006 -0.06681348 -0.09609107 0.04879586 Sr 9.54739169 12.70792981 9.49792276 -0.06033152 -0.05408528 -0.05699666 Sr 6.26843407 15.85647172 9.50600175 0.03938482 -0.12118024 -0.05801294 Sr 12.71275726 12.59221801 6.28444686 -0.09716132 0.07588792 0.07786102 Sr 15.77816727 15.83817184 6.29426300 0.02009365 -0.05151029 0.08191446 Sr 15.83764282 12.59530087 9.45625503 -0.04878408 0.03348321 0.08129575 Sr 12.69320997 15.80432417 9.51380338 -0.03593058 -0.07883638 -0.04014670 Sr 18.96231267 12.65431749 6.29388237 -0.18403023 0.00812949 0.06591735 Sr 22.20465431 15.86159483 6.29622184 0.08034496 -0.08771131 0.07859539 Sr 22.15689652 12.70949038 9.45108711 0.13859439 -0.02495082 0.00391663 Sr 18.99527419 15.75582754 9.54964600 -0.24499872 0.10466416 -0.17152090 Sr 0.01391527 18.98758322 6.24010188 -0.19582774 -0.13166044 0.10696988 Sr 3.22452658 22.09958888 6.30614962 0.05914915 0.19084110 -0.01251864 Sr 3.14496564 19.03089403 9.45059900 0.19379751 -0.28771455 0.04899075 Sr 0.02580890 22.11515819 9.46987749 -0.13268191 0.13093624 0.00800956 Sr 6.34425472 18.92953130 6.29778893 0.05749652 -0.18808551 0.02412874 Sr 9.44067695 22.16703918 6.30157365 0.04054178 0.09947755 0.07885916 Sr 9.44708324 18.93544905 9.51637106 0.07883065 -0.10490320 -0.03695859 Sr 6.26774517 22.16411585 9.44464984 0.11247468 0.09543114 0.04374563 Sr 12.57644439 18.98249148 6.27215834 0.09054598 -0.11905018 0.10112499 Sr 15.87656397 22.12561598 6.28052528 -0.14132009 0.10162290 0.05195364 Sr 15.76725468 18.93752251 9.51692861 0.07855489 -0.14580149 -0.11904485 Sr 12.70134325 22.18379963 9.54337992 -0.08936864 0.07820667 -0.09677252 Sr 18.98150807 18.97287514 6.28656394 -0.19419970 -0.28455140 0.18661732 Sr 22.09401711 22.12487931 6.32068090 0.17793670 0.13976670 0.04519842 Sr 22.21124402 18.95565030 9.50800983 0.08843262 -0.12364464 -0.04055001 Sr 18.94530557 22.11231350 9.44691036 -0.13534666 0.10860979 0.08881925 Sr 0.01768831 0.01194736 12.62706342 -0.18263837 -0.14140908 0.08604619 Sr 3.12790488 3.16680458 12.62903536 0.30265446 0.22325527 0.07155777 Sr 3.16823765 0.04413809 15.81874248 0.13905538 -0.23874554 -0.04900565 Sr 0.06326545 3.17946400 15.87433264 -0.23298578 0.10424432 -0.10325918 Sr 6.38237021 0.03616149 12.71163828 -0.07267525 -0.16093979 -0.12053061 Sr 9.52204579 3.10458002 12.60382710 -0.01472104 0.34709663 0.07659036 Sr 9.44784697 0.05865746 15.78491716 0.09274770 -0.13562861 0.09001628 Sr 6.30740371 3.10762497 15.76403193 0.02028421 0.38578185 0.03835148 Sr 12.58645252 0.00112419 12.71420147 0.09102638 -0.12028588 -0.04324121 Sr 15.81293196 3.17584760 12.65375103 -0.05215147 0.27103185 -0.01722204 Sr 15.80298995 0.02621525 15.76865424 -0.02582370 -0.11346126 0.09224685 Sr 12.67527926 3.19267062 15.87888830 -0.07807386 0.15276398 -0.08934660 Sr 18.94880018 0.04950680 12.69493621 -0.08007761 -0.17146395 -0.06822820 Sr 22.18871765 3.16238981 12.67370968 0.11950199 0.20804080 -0.07534097 Sr 22.12093717 0.05689185 15.76425274 0.15941707 -0.17481207 0.01348443 Sr 19.00155668 3.19948181 15.85182096 -0.27036995 0.20353760 -0.03698162 Sr 0.01795920 6.28480877 12.70813344 -0.19986826 0.07149802 -0.02589338 Sr 3.17831872 9.43531622 12.68256500 0.23779423 0.10789225 -0.06291500 Sr 3.12252960 6.36596552 15.75944326 0.38233734 -0.06044189 0.07952544 Sr 0.05901512 9.46340106 15.86259665 -0.18400167 0.06676076 -0.08446259 Sr 6.36448721 6.28493815 12.60682492 0.02406359 0.04611556 0.01425117 Sr 9.55404022 9.52032774 12.62038001 -0.09766000 -0.11154784 -0.03772965 Sr 9.45364095 6.28108198 15.82780802 0.03613083 0.05359276 -0.08330639 Sr 6.33304425 9.43938818 15.76215612 0.07206176 0.04577698 0.02377713 Sr 12.66988660 6.31511860 12.61435841 -0.01499717 0.00700046 0.09125222 Sr 15.76122474 9.43475803 12.68025533 0.04996090 0.05994290 -0.00025017 Sr 15.76449529 6.30010615 15.88183434 0.05118911 0.08212893 -0.12995360 Sr 12.57541096 9.48379092 15.88174349 0.08933551 -0.06055586 -0.09166781 Sr 19.00653074 6.40379248 12.71405033 -0.21806287 -0.07357282 -0.07045580 Sr 22.18798220 9.54107892 12.63736433 0.11892258 -0.05675923 0.00010879 Sr 22.11872244 6.27573740 15.87898975 0.18899162 0.07563834 -0.05244921 Sr 19.01836329 9.45948116 15.84760083 -0.24525577 0.08532088 -0.05135988 Sr 0.02794661 12.64849635 12.66439235 -0.11181066 -0.02519364 0.04529951 Sr 3.11094468 15.86364984 12.64281430 0.29130947 -0.10661901 -0.05176477 Sr 3.17734810 12.69517911 15.80403231 0.19666397 -0.05521658 -0.05764087 Sr 0.01321923 15.85636523 15.84222734 -0.16909679 -0.06611856 -0.06028764 Sr 6.36877187 12.67736541 12.67989056 -0.06954758 -0.08035955 -0.10877399 Sr 9.44679891 15.79347373 12.62265000 0.09529809 0.04739530 0.06257653 Sr 9.55490952 12.62899423 15.72562803 -0.09685597 0.02272435 0.10588978 Sr 6.30244289 15.73910160 15.80479885 0.10549648 0.08848740 0.01539921 Sr 12.59615914 12.59365373 12.68508729 0.16965384 0.08641189 -0.08605384 Sr 15.80739223 15.86179456 12.62190464 -0.04755433 -0.17213111 0.05928001 Sr 15.83877660 12.59518222 15.74982235 -0.06318816 0.04133778 0.03832999 Sr 12.63176021 15.81644980 15.82077552 0.04476998 -0.05306387 -0.04659898 Sr 19.03239570 12.70669856 12.59432132 -0.29967925 -0.14863194 0.06446445 Sr 22.10125041 15.89862823 12.67623563 0.21129801 -0.08149762 0.03308824 Sr 22.15389472 12.62527099 15.76904936 0.09007649 0.03181300 0.04246003 Sr 18.93467436 15.80971691 15.78474097 -0.20962563 -0.07261288 0.01670218 Sr 0.04630629 18.97055991 12.69904749 -0.20052418 -0.10584202 -0.07647614 Sr 3.21989025 22.16238454 12.65571529 0.10261043 0.14097813 0.00927288 Sr 3.20741701 18.93623377 15.76334362 0.22430080 -0.09826378 0.07757799 Sr 0.02405308 22.14934657 15.84810483 -0.12223432 0.12237853 -0.06352444 Sr 6.37839794 18.97061008 12.67645935 -0.06909974 -0.20045234 -0.02616066 Sr 9.43114069 22.11385982 12.69874343 0.08535338 0.14357411 -0.06376450 Sr 9.45105305 19.04516690 15.83206436 0.04692091 -0.36244777 -0.04154983 Sr 6.31344254 22.18976338 15.84421805 -0.01650013 0.10918378 0.02727606 Sr 12.71237131 18.97327970 12.61240562 -0.20502959 -0.20779429 0.07173596 Sr 15.77506314 22.11548099 12.67493889 0.05557976 0.16726389 -0.07107817 Sr 15.75292849 19.02312888 15.77414657 0.03798211 -0.33050263 0.08503151 Sr 12.72994086 22.15273809 15.85230110 -0.06647547 0.14770066 -0.04106840 Sr 19.00343833 18.95141369 12.69687162 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