256 Lattice="25.386943817138672 0.0 0.0 0.0 25.386943817138672 0.0 0.0 0.0 25.386943817138672" Properties=species:S:1:pos:R:3:forces:R:3 energy=-276.4208184893104 stress="-0.00037842846370642633 -1.637069544093347e-05 1.3586617563198383e-05 -1.637069544093347e-05 -0.0003719764066219509 1.6970534653994815e-05 1.3586617563198383e-05 1.6970534653994815e-05 -0.0003831423380217375" free_energy=-276.4208184893104 pbc="F F F" Sr 0.04162082 0.03632744 0.03344534 -0.11865961 -0.12842888 -0.11501271 Sr 3.13465908 3.15979681 0.00597982 0.24291522 0.14525611 -0.19225273 Sr 3.11649439 0.01438436 3.22954647 0.25941770 -0.20791386 0.07073090 Sr 0.03300223 3.15696141 3.16023657 -0.24648625 0.17507526 0.15818562 Sr 6.31454763 0.00577229 0.05479922 -0.04215725 -0.14002776 -0.12862520 Sr 9.47783873 3.11187860 0.00306111 0.02759249 0.25037921 -0.18222747 Sr 9.49107128 0.01616988 3.13027862 0.02314356 -0.19052572 0.23684259 Sr 6.40756176 3.19548807 3.19885989 -0.07067251 0.16367676 0.16303404 Sr 12.73097194 0.00334276 0.00408811 -0.00954437 -0.10890469 -0.09348791 Sr 15.88045027 3.13863411 0.06247595 -0.06385061 0.15267071 -0.22466968 Sr 15.92446631 0.05742633 3.15749907 -0.12380261 -0.21319418 0.19263517 Sr 12.60406388 3.21601680 3.21156676 0.04493058 0.12001605 0.12685410 Sr 19.02868006 0.00992705 0.05814034 -0.04920626 -0.19727394 -0.21520629 Sr 22.20889984 3.20716652 0.02717670 0.15252763 0.11098763 -0.17103119 Sr 22.25564181 0.05149952 3.17107476 0.17824782 -0.18125830 0.07291287 Sr 19.04030796 3.12580258 3.11059969 -0.12404623 0.33710473 0.30240486 Sr 0.05123394 6.33439058 0.02851945 -0.16759095 0.01222033 -0.13828643 Sr 3.11693293 9.51585231 0.05218608 0.19212895 0.02298280 -0.17442946 Sr 3.19765109 6.28669797 3.17738350 0.18435949 0.10122430 0.20966654 Sr 0.03514696 9.54309819 3.14774697 -0.16082773 -0.04442559 0.22596869 Sr 6.31840338 6.42844742 0.02944573 0.04669428 -0.06599898 -0.14243995 Sr 9.51095968 9.56501181 0.00050756 0.06133421 -0.04069789 -0.08578994 Sr 9.48136906 6.35926654 3.22503457 0.06978132 0.06143454 0.12038151 Sr 6.36758183 9.51984163 3.17649294 -0.01619794 0.03800658 0.19624678 Sr 12.75599455 6.29613748 0.00127243 -0.13430494 0.04958629 -0.12049388 Sr 15.80498770 9.53144283 0.02701828 0.04919236 -0.03829768 -0.15958535 Sr 15.81928474 6.30591641 3.12316410 0.04740245 0.09436560 0.33544609 Sr 12.65772260 9.53396119 3.20324111 -0.01792931 -0.11324145 0.20663572 Sr 18.98004697 6.33910434 0.00990886 -0.10240116 0.03703468 -0.19382627 Sr 22.22259513 9.54406267 0.00168247 0.08229057 -0.00055033 -0.12976879 Sr 22.15866365 6.39232045 3.17682856 0.16747062 -0.03356069 0.16574995 Sr 19.01234299 9.48702980 3.12571501 -0.21756869 0.04298520 0.24363038 Sr 0.01014912 12.72629489 0.05479453 -0.12708160 0.02987149 -0.13247164 Sr 3.14799900 15.92117916 0.02704755 0.18734719 -0.09849014 -0.16144577 Sr 3.15934646 12.69111828 3.22343668 0.23142815 0.04686991 0.17732738 Sr 0.00411036 15.92907405 3.21654295 -0.18877730 -0.12224053 0.12230264 Sr 6.31861040 12.65108535 0.00780941 -0.00451004 0.04250765 -0.09756468 Sr 9.45806908 15.88320721 0.04776411 0.08569708 -0.08775645 -0.14725095 Sr 9.52142660 12.75291455 3.23123774 -0.00502374 -0.03286222 0.10852321 Sr 6.35366228 15.88307905 3.14968073 -0.04560075 -0.05445235 0.26578755 Sr 12.75587701 12.65031368 0.06160409 -0.15857153 0.08692173 -0.16764418 Sr 15.76818838 15.90108896 0.00168361 0.05150229 -0.03609470 -0.15374599 Sr 15.78186090 12.66006112 3.11647756 0.07711583 0.04175973 0.35005818 Sr 12.75619443 15.90220759 3.20509280 -0.05965239 -0.07601307 0.21113969 Sr 18.98835869 12.77043081 0.03884380 -0.13137840 -0.04349744 -0.19330055 Sr 22.24090729 15.91389254 0.03087234 0.10556949 -0.03400345 -0.14936003 Sr 22.17699041 12.73654506 3.12062351 0.16012290 -0.03513776 0.16348988 Sr 18.98271090 15.81852704 3.20542752 -0.17713857 0.02568553 0.19119566 Sr 0.06306756 19.05601809 0.01253738 -0.21116812 -0.10214278 -0.18688127 Sr 3.11572787 22.26374793 0.00572055 0.15332318 0.14410599 -0.14629296 Sr 3.12726802 19.03736606 3.17059435 0.30378954 -0.13224405 0.22016552 Sr 0.04330601 22.16596215 3.20034134 -0.18046162 0.20589193 0.10569337 Sr 6.33952086 19.06513213 0.03419381 0.00079834 -0.10506297 -0.17017956 Sr 9.59697340 22.18423257 0.05335366 -0.04835298 0.16698474 -0.14986450 Sr 9.60409904 19.05697376 3.12770700 -0.09632025 -0.19532211 0.23991625 Sr 6.33100459 22.20450926 3.16528144 -0.02004173 0.15704663 0.13597111 Sr 12.66902578 19.01843284 0.05798816 0.03237349 -0.15076535 -0.23550942 Sr 15.86528400 22.16574529 0.05709543 0.03488022 0.14725540 -0.19395543 Sr 15.90487969 19.02727399 3.15988451 -0.07291026 -0.19686564 0.28144270 Sr 12.80537986 22.20090754 3.12010440 -0.07359931 0.19265191 0.24782775 Sr 19.00750351 18.99812645 0.05797854 -0.10699114 -0.13568815 -0.23796557 Sr 22.24544687 22.15635640 0.04473062 0.06999961 0.09843739 -0.11314958 Sr 22.21514999 19.03415818 3.12804528 0.19159482 -0.20138543 0.25658529 Sr 19.07565311 22.15561670 3.20163842 -0.16183005 0.25068149 0.08363072 Sr 0.05992877 0.03488142 6.30747242 -0.17845320 -0.13776207 0.08325073 Sr 3.22518544 3.16071005 6.31582864 0.12761817 0.24496795 0.06761606 Sr 3.16572728 0.03224938 9.54581187 0.15455921 -0.18206699 -0.02392197 Sr 0.02060161 3.13418291 9.56822793 -0.17278841 0.22541546 -0.10425314 Sr 6.30924170 0.00313497 6.41269420 0.05751198 -0.15157862 -0.06964495 Sr 9.47894840 3.22616673 6.35181478 0.02617118 0.15883641 0.05470947 Sr 9.56650198 0.01635186 9.41341784 -0.07223758 -0.12440615 0.09473345 Sr 6.29625744 3.19741967 9.45832677 0.08037101 0.22964284 0.12316195 Sr 12.72082561 0.02837666 6.30112743 -0.01334720 -0.10212097 0.00240948 Sr 15.86634806 3.18100065 6.30910306 0.02951008 0.20265209 0.08485968 Sr 15.83438289 0.03829634 9.52339732 0.04861246 -0.12251946 -0.02813007 Sr 12.64884978 3.12960093 9.61624950 0.03182915 0.28603089 -0.08615855 Sr 19.10024832 0.06262258 6.28351605 -0.22695236 -0.19619392 0.07891432 Sr 22.24114045 3.11852043 6.35824876 0.15321610 0.25077965 -0.00151420 Sr 22.15830724 0.01207900 9.50834393 0.15699382 -0.18242495 0.01447898 Sr 19.06524290 3.13427320 9.57274813 -0.25494720 0.27071347 -0.07473050 Sr 0.02945158 6.33173620 6.30933928 -0.10927298 0.03107792 0.06039482 Sr 3.23671241 9.51387306 6.41524278 0.08271216 -0.01298242 -0.08335504 Sr 3.15159006 6.34015117 9.53458349 0.21908999 0.04148179 0.04362775 Sr 0.03393237 9.56867856 9.51948131 -0.10189793 -0.07019364 0.06630778 Sr 6.29938175 6.43703565 6.35498709 0.07109276 -0.06193805 0.03529794 Sr 9.50515140 9.54519654 6.34722425 0.06663647 -0.05467725 0.07454674 Sr 9.51853362 6.37513769 9.48047679 -0.00280845 -0.01376428 -0.00975446 Sr 6.33577925 9.55540240 9.49302725 0.05172612 -0.03270590 0.11656570 Sr 12.75997925 6.28409339 6.38027816 -0.08679981 0.10283762 0.00724787 Sr 15.84567217 9.54715009 6.38558524 0.00393250 -0.08310127 -0.09292137 Sr 15.82820060 6.28585176 9.53928761 0.06088719 0.01073112 0.04817878 Sr 12.81466274 9.47633121 9.50657423 -0.11119976 0.07189947 0.01750721 Sr 19.09242925 6.37279077 6.39726962 -0.31210573 -0.06316995 -0.09294293 Sr 22.23416110 9.60874441 6.31283187 0.11921097 -0.02268590 -0.02188454 Sr 22.19201067 6.40810590 9.45891805 0.14648675 -0.03341512 0.08577250 Sr 19.02748098 9.46937679 9.46114794 -0.24683550 0.02777601 0.10299136 Sr 0.04384735 12.63179844 6.40222749 -0.13475627 0.04641243 -0.05046523 Sr 3.12067796 15.90047542 6.38109348 0.32965388 -0.06372515 -0.04080931 Sr 3.23581557 12.73341532 9.51832442 0.13418780 -0.02734877 0.06186801 Sr 0.00909320 15.87640064 9.45672613 -0.15737475 -0.05502015 0.06930467 Sr 6.34820447 12.63229757 6.35406653 0.05801864 0.15596612 0.01040581 Sr 9.52683507 15.92558727 6.29335441 -0.04273681 -0.08442989 0.13936106 Sr 9.57133456 12.68194496 9.57030592 -0.06262622 0.01845391 -0.10815753 Sr 6.29370740 15.82995131 9.54306725 0.15862515 0.04701723 -0.07151874 Sr 12.64506159 12.64961504 6.33253839 0.05093715 0.09630321 0.09341519 Sr 15.84047345 15.87885443 6.39335258 -0.08283386 -0.04246884 -0.02118880 Sr 15.88822479 12.73356438 9.47867732 -0.09884381 -0.02102864 0.04608117 Sr 12.58797674 15.89664608 9.55580350 0.10431242 -0.05375197 -0.11234942 Sr 18.98660562 12.64316412 6.30832975 -0.18708503 0.01332872 0.02161913 Sr 22.15112961 15.76754223 6.38385206 0.15206219 0.03991598 -0.05260523 Sr 22.21020029 12.61192612 9.53803808 0.09349522 0.03529980 -0.01448183 Sr 19.05316655 15.89090934 9.44035976 -0.19798977 -0.09525035 0.09695635 Sr 0.01890332 19.04364204 6.28809635 -0.20170754 -0.10598634 0.10301935 Sr 3.14694569 22.24958368 6.44242005 0.21541381 0.12074197 -0.08808331 Sr 3.11001287 19.03045673 9.54339832 0.31184651 -0.18882941 -0.05704221 Sr 0.04977886 22.19879970 9.48847088 -0.18913669 0.14380340 0.03590812 Sr 6.37505161 19.03766918 6.28618699 -0.04398133 -0.21371565 0.12072176 Sr 9.47557472 22.17154611 6.29964039 0.02855037 0.16075651 0.02425511 Sr 9.54063124 19.07746894 9.58990047 -0.10682051 -0.24801378 -0.09318906 Sr 6.32076203 22.21602312 9.53444674 0.01436988 0.08291644 -0.00422756 Sr 12.63182521 19.09302760 6.33712496 0.13087117 -0.21988331 0.07126771 Sr 15.88294193 22.26702194 6.33856507 -0.04197047 0.06935105 0.06122903 Sr 15.89625741 18.99429786 9.55642849 -0.11496982 -0.10232546 -0.02742250 Sr 12.63099112 22.25358381 9.49656394 0.08536834 0.07756713 0.00226815 Sr 19.00918186 19.06466905 6.31925063 -0.15513064 -0.21542981 0.05122247 Sr 22.17897877 22.20525328 6.34445210 0.13448606 0.11524979 0.04542133 Sr 22.18128237 18.98520424 9.48904390 0.15267099 -0.05996702 0.00561184 Sr 19.00445041 22.23613722 9.57973690 -0.12919378 0.10695257 -0.00748684 Sr 0.01171749 0.02383885 12.62637288 -0.15935971 -0.15945099 0.08078688 Sr 3.11947833 3.18193728 12.71760345 0.32071457 0.21798531 -0.00995909 Sr 3.14310614 0.03576279 15.84202909 0.14815056 -0.19583103 0.02061618 Sr 0.00585621 3.17735605 15.91883610 -0.17869587 0.16461318 -0.05362694 Sr 6.29164798 0.01981323 12.72072538 0.09152330 -0.10346439 -0.04590527 Sr 9.44509211 3.15210801 12.69437428 -0.02244773 0.24310706 -0.03191647 Sr 9.56875195 0.03120472 15.85251316 -0.09730327 -0.16298008 -0.04641231 Sr 6.30322433 3.19290742 15.92456092 0.05665286 0.21602814 -0.05137192 Sr 12.68653629 0.01671903 12.68506558 0.00187405 -0.18904656 0.00220178 Sr 15.88040123 3.13608943 12.76155928 -0.06993111 0.24080217 -0.05829186 Sr 15.83449003 0.02192772 15.95755184 0.05765149 -0.14893552 -0.07201854 Sr 12.65547502 3.11906986 15.77908008 -0.00541601 0.37416610 0.04757331 Sr 19.06502719 0.04132891 12.73471148 -0.19336658 -0.22510741 0.02072105 Sr 22.21329902 3.14479090 12.66753050 0.21218017 0.20695894 -0.00177667 Sr 22.23666128 0.02826790 15.91360645 0.12989052 -0.13808623 -0.04665647 Sr 19.07455924 3.21429473 15.80893658 -0.21268509 0.07651782 0.08269605 Sr 0.05546871 6.32527560 12.75274739 -0.16810946 0.08061397 -0.06256200 Sr 3.20572374 9.58086447 12.74385742 0.21798453 -0.02004371 -0.10427034 Sr 3.22512872 6.39272703 15.78926427 0.18741223 -0.07835238 0.10754595 Sr 0.06106636 9.46911314 15.92367572 -0.21644049 0.04486259 -0.07102400 Sr 6.40597345 6.40723454 12.73065409 -0.05673768 -0.05681663 -0.11722644 Sr 9.56414993 9.45778656 12.60347386 -0.06190438 0.12151291 0.06019738 Sr 9.48685707 6.40965706 15.86097783 0.08587987 -0.09913036 0.04029974 Sr 6.36179660 9.48039584 15.91362067 0.05936855 0.15338000 -0.06461625 Sr 12.64357404 6.38372229 12.69667278 0.09717968 -0.06422670 0.03277462 Sr 15.87142506 9.57472624 12.72940512 -0.04431718 -0.07123505 -0.03332739 Sr 15.90889214 6.29014240 15.92192910 -0.14945817 0.12871247 -0.10627150 Sr 12.63805385 9.53402897 15.82135948 0.06041139 -0.04154084 0.02935238 Sr 19.00270124 6.29754939 12.75444101 -0.16259353 0.10884250 -0.13403291 Sr 22.15938046 9.52183106 12.72175185 0.14494709 -0.07294318 -0.02891188 Sr 22.23141043 6.30477205 15.89102202 0.15189006 0.07941312 -0.03735096 Sr 19.08354400 9.48175130 15.83634130 -0.23657478 0.01808612 0.08050587 Sr 0.05286856 12.71525092 12.73871160 -0.14859129 -0.00001491 -0.04260067 Sr 3.15750313 15.88220273 12.72095522 0.23911413 -0.10387748 0.00278699 Sr 3.11407198 12.64431858 15.90788925 0.33022955 0.08273126 -0.06136158 Sr 0.04040757 15.89405538 15.90768954 -0.18309141 -0.02490776 -0.03611626 Sr 6.43499661 12.72054804 12.70801566 -0.03450777 -0.05104341 0.06187031 Sr 9.54420474 15.90734008 12.74283099 -0.14622793 -0.05036208 -0.02056623 Sr 9.55331272 12.68166469 15.91621009 -0.05436985 -0.05979486 -0.03786366 Sr 6.39193159 15.80463794 15.93801943 -0.01703937 0.04794792 -0.08404220 Sr 12.60847105 12.74810193 12.68781795 0.13125277 -0.08539830 0.01371645 Sr 15.86869119 15.81360684 12.63674555 -0.00529688 0.00580661 0.10888529 Sr 15.90812868 12.66504011 15.88980311 -0.06198194 0.09660842 -0.04775125 Sr 12.63940020 15.90759826 15.81963256 0.16706277 -0.07715778 0.08786071 Sr 19.03863793 12.65109440 12.63152081 -0.21850046 0.09762258 0.02672625 Sr 22.27223182 15.82844368 12.63488904 0.06877454 -0.00390197 0.01055305 Sr 22.16604552 12.73857907 15.79720747 0.12780381 -0.05060031 0.02750011 Sr 19.07925964 15.89001927 15.92487286 -0.30840338 -0.10857827 -0.17078890 Sr 0.01695862 19.03730489 12.65338035 -0.22279498 -0.17347893 0.03631353 Sr 3.13325872 22.15399121 12.74773535 0.21643776 0.19349596 -0.03228359 Sr 3.17913683 18.98019201 15.83765359 0.25011401 -0.10596201 0.05108873 Sr 0.01729803 22.19880623 15.84346887 -0.13605931 0.10747089 0.02553222 Sr 6.31920160 19.00532266 12.67116009 0.07363891 -0.16439582 0.06556952 Sr 9.50806239 22.26031585 12.64684221 -0.01566030 0.09773579 0.06179785 Sr 9.52427217 19.09865478 15.88819686 -0.07839721 -0.23037448 -0.06540458 Sr 6.37767364 22.27038903 15.88888836 -0.01925086 0.07458954 -0.06806707 Sr 12.63572720 18.98400504 12.71605302 0.10346629 -0.08279530 -0.02601624 Sr 15.77951562 22.18399597 12.72969728 0.00098111 0.09828715 -0.07097295 Sr 15.86330421 19.09122193 15.88153304 -0.06514190 -0.30897196 -0.03941429 Sr 12.65151739 22.21014800 15.85841730 0.01753431 0.13201460 0.03007521 Sr 19.07562012 18.99288138 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