256 Lattice="25.386945052860945 0.0 0.0 0.0 25.386945052860945 0.0 0.0 0.0 25.386945052860945" Properties=species:S:1:pos:R:3:forces:R:3 energy=-277.45663020899195 stress="-0.7671225049254202 0.7865229295482354 -0.19452801847475243 0.7865229295482354 -0.9230383040916195 -0.561920095302284 -0.19452801847475243 -0.561920095302284 -0.6180051782093265" pbc="F F F" Sr -0.01883379 -0.02129556 0.01912347 -0.06727952 -0.07455731 -0.08196644 Sr 3.14485115 3.19981321 0.05507861 0.15921879 0.09393204 -0.23346011 Sr 3.14381048 0.04096839 3.20768505 0.17738580 -0.18991585 0.07818300 Sr -0.02450695 3.12299062 3.20257993 -0.18492698 0.17492317 0.13211450 Sr 6.38410083 0.06345651 -0.03201547 -0.04413111 -0.13287848 -0.11939046 Sr 9.51794010 3.22058435 0.02450980 0.06317295 0.12560369 -0.17428205 Sr 9.49309661 0.00362956 3.14857271 0.04356697 -0.11351190 0.18067916 Sr 6.40142151 3.22769632 3.11377659 -0.02327945 0.15947161 0.32849017 Sr 12.67314737 -0.02663033 -0.04695553 0.02501388 -0.07305654 -0.07191522 Sr 15.89143027 3.20516692 -0.06211856 -0.05875673 0.07826478 -0.15233838 Sr 15.86678647 0.05012865 3.23269646 -0.00938128 -0.15192030 0.01062680 Sr 12.75557805 3.21483846 3.13765355 -0.10323012 0.13451444 0.17564445 Sr 19.06748698 -0.05657281 -0.02844720 -0.11631120 -0.10858331 -0.09000536 Sr 22.24450647 3.15726463 0.03672578 0.15255863 0.06505587 -0.15539550 Sr 22.23992092 -0.04593357 3.23309186 0.12284494 -0.12805380 0.05748622 Sr 19.05836724 3.19837999 3.11796294 -0.21951217 0.13387394 0.26363146 Sr 0.00058004 6.33517335 0.04565671 -0.15866561 0.01874595 -0.12919479 Sr 3.18561445 9.48301166 -0.05407850 0.06427529 0.06839634 -0.13010817 Sr 3.19424523 6.32551517 3.11947542 0.19311098 0.02129580 0.32577645 Sr 0.01803471 9.49623709 3.21616035 -0.13779188 0.00529216 0.06436733 Sr 6.39663748 6.40264418 0.01437031 -0.01674905 -0.03865308 -0.18192035 Sr 9.54604431 9.48290981 -0.05295578 -0.00968910 0.10826973 -0.09544564 Sr 9.56112483 6.42790312 3.14809210 -0.07555021 -0.06383191 0.25782189 Sr 6.30348421 9.51378890 3.11407059 0.07065623 0.03170708 0.30674644 Sr 12.63667386 6.41028696 -0.00960766 0.06494143 -0.06231613 -0.15300895 Sr 15.78421315 9.51914252 -0.03132103 0.04392460 0.00926876 -0.10094735 Sr 15.84190816 6.32557667 3.12699651 0.03001341 0.06432193 0.26487827 Sr 12.69039360 9.46964412 3.22723237 0.04578860 0.13450764 0.14271330 Sr 19.05577564 6.31383844 -0.01157750 -0.11920449 0.12153982 -0.17097609 Sr 22.27488490 9.58793249 -0.04510096 0.04568961 -0.03768571 -0.07120743 Sr 22.22787993 6.32854969 3.15275525 0.15396256 0.05201783 0.12332615 Sr 19.00332829 9.45711851 3.21546747 -0.12673473 0.03162554 0.05644746 Sr -0.04931321 12.73168235 0.01587090 -0.08246370 -0.06190780 -0.08628010 Sr 3.14787845 15.84055171 0.03185324 0.16126397 -0.04413423 -0.18183483 Sr 3.16415218 12.69106705 3.23657883 0.18804144 -0.05309103 0.05672117 Sr -0.02229606 15.91665137 3.13688802 -0.16295516 -0.06569762 0.20851889 Sr 6.34306109 12.65932555 -0.04019644 0.04247740 0.04913504 -0.09341784 Sr 9.58264810 15.92182951 0.04418935 -0.11636050 -0.05454385 -0.11839585 Sr 9.52244020 12.70753408 3.16169012 -0.01901762 -0.07636146 0.20555052 Sr 6.31816966 15.79172709 3.21492170 0.06510361 0.05599357 0.11802500 Sr 12.64018752 12.73635733 0.05538417 0.03287833 -0.06602855 -0.09204257 Sr 15.80422642 15.82886097 -0.02087526 0.02743916 0.03488989 -0.07056796 Sr 15.91420237 12.62542427 3.18902069 -0.09193950 0.08292360 0.15421187 Sr 12.72024503 15.91746441 3.20692487 -0.03157427 -0.09675240 0.17966659 Sr 18.99670111 12.72162514 0.01766394 -0.10760294 -0.03499644 -0.13384227 Sr 22.21734386 15.89655206 0.01212023 0.11216794 -0.04470281 -0.12926911 Sr 22.18826272 12.69043693 3.15765372 0.12631363 -0.01330327 0.15459793 Sr 19.05275184 15.90753221 3.21957255 -0.26351536 -0.05048383 0.10318993 Sr -0.01129290 19.08021918 -0.00422441 -0.14552521 -0.08902453 -0.17638087 Sr 3.19292427 22.26623467 0.01265184 0.10413553 0.14030715 -0.13472062 Sr 3.12006403 19.00709024 3.11840528 0.26455361 -0.13091468 0.30018463 Sr 0.04869600 22.23322152 3.19005961 -0.15567792 0.15847074 0.09726733 Sr 6.28582583 19.02742935 0.00937673 0.07067319 -0.14786784 -0.15591990 Sr 9.57169243 22.24146711 0.04832746 -0.03007164 0.13086512 -0.14952802 Sr 9.48418364 19.09387802 3.14996234 0.00649443 -0.25814265 0.29180370 Sr 6.39896962 22.18818822 3.17851129 -0.06484508 0.15744716 0.14602454 Sr 12.64687879 19.04758534 0.06078206 0.06682964 -0.11992668 -0.19572227 Sr 15.87753452 22.17949286 0.00465987 -0.00749314 0.12679958 -0.14477074 Sr 15.81831689 19.05796195 3.19144918 0.06954324 -0.22130997 0.14313865 Sr 12.77287872 22.22823701 3.18514607 -0.04221284 0.17235265 0.18975413 Sr 19.03607396 19.03300901 0.01433325 -0.18369456 -0.17899030 -0.17474250 Sr 22.15013926 22.16425186 0.01536225 0.10452792 0.12188582 -0.11169460 Sr 22.25787327 19.04714499 3.13627318 0.18518067 -0.11638111 0.16727191 Sr 19.03861526 22.19051844 3.19706136 -0.15538885 0.19016496 0.12964736 Sr -0.06284396 -0.02227911 6.33374419 -0.11652478 -0.11566064 0.04478180 Sr 3.19117448 3.11717337 6.43676773 0.19371579 0.25958931 -0.09800244 Sr 3.15290410 -0.04033571 9.48612483 0.11246174 -0.10990309 0.08266722 Sr -0.04366182 3.22367584 9.50015247 -0.13671824 0.03008832 0.04483590 Sr 6.29130786 -0.04295779 6.30948775 0.11357713 -0.05811625 0.03596818 Sr 9.56398393 3.22731168 6.37027594 -0.02582023 0.13647785 -0.05444368 Sr 9.48731830 0.05836404 9.51486875 0.01945643 -0.13912137 -0.02257620 Sr 6.36595349 3.22046788 9.53408573 -0.04317454 0.11613072 -0.00939072 Sr 12.69786468 -0.00676584 6.30759847 -0.03713997 -0.10151583 0.07731429 Sr 15.81119175 3.17993823 6.37111850 0.08054241 0.21875151 0.02457815 Sr 15.92074385 -0.05939661 9.55300198 -0.07955517 -0.07265038 -0.03220371 Sr 12.72245837 3.19143247 9.54020291 -0.02285684 0.16915384 0.00473697 Sr 19.01845986 -0.03472969 6.30229409 -0.12232433 -0.10707574 0.06854039 Sr 22.18441429 3.16305408 6.31818903 0.15671998 0.13598060 0.01171241 Sr 22.20066445 0.01298118 9.54975727 0.10935079 -0.11381165 -0.01585499 Sr 19.09540190 3.20071333 9.49336338 -0.24325781 0.11162871 0.00925054 Sr 0.04858269 6.30030046 6.31524689 -0.13038053 0.03270726 -0.00189802 Sr 3.15201016 9.51985402 6.37358462 0.29348848 -0.02532216 0.03254752 Sr 3.15185231 6.35251709 9.49271454 0.27326582 0.06680728 0.07863851 Sr -0.01697260 9.49735985 9.48061907 -0.10158081 0.00406136 0.03894749 Sr 6.38145821 6.33575752 6.40488443 -0.02386775 0.07984747 -0.06951758 Sr 9.52868108 9.50365682 6.32497736 -0.05487306 0.05706316 0.06178773 Sr 9.51268981 6.32734412 9.56823771 0.05674806 0.06080447 -0.07189458 Sr 6.39395841 9.55134679 9.57921666 -0.05659352 -0.08773271 -0.08505460 Sr 12.68251092 6.39652493 6.30193903 0.05686102 -0.03598776 0.11233985 Sr 15.92841130 9.58594976 6.38276940 -0.13786615 -0.12464462 -0.00079458 Sr 15.87869795 6.30075926 9.51957009 -0.08974036 0.13383875 0.00541715 Sr 12.65627363 9.48016911 9.46226452 0.05558160 0.05567839 0.06967551 Sr 19.04910682 6.40370581 6.38173152 -0.26800806 -0.09594159 -0.06911909 Sr 22.23718831 9.46343182 6.28933498 0.11377577 0.09225467 0.07114080 Sr 22.17760746 6.32531420 9.47428124 0.16112195 0.05223439 0.07674407 Sr 19.00668244 9.49619469 9.49749221 -0.15755080 0.05103483 0.05843003 Sr 0.00905872 12.65798873 6.29666893 -0.15037857 0.05574122 0.05953689 Sr 3.23419604 15.77789591 6.33659779 0.08750808 0.11358529 0.04236880 Sr 3.13877977 12.73460902 9.57541714 0.24441555 -0.11800198 -0.06933076 Sr 0.05825475 15.79406097 9.51112217 -0.15931587 0.07357551 -0.04584121 Sr 6.35621092 12.62726625 6.40877344 0.01637986 -0.03934750 -0.02889862 Sr 9.46057772 15.82314443 6.29457799 0.06800882 0.03021041 0.05795859 Sr 9.48906898 12.73669025 9.51729174 0.13472668 -0.03969055 -0.01736836 Sr 6.33125016 15.84003037 9.50046076 0.04222797 0.05877655 0.06963555 Sr 12.73539710 12.73159365 6.31445717 -0.10072101 -0.04661293 0.04284060 Sr 15.81315528 15.87664766 6.33051797 0.07419996 -0.04307347 0.03434633 Sr 15.81292462 12.69678484 9.47617009 -0.02504405 0.00261513 0.10589238 Sr 12.70116737 15.89074078 9.52693651 -0.04385075 -0.11312760 0.04450198 Sr 19.02526307 12.71269299 6.34504582 -0.11218609 0.01722070 0.06093486 Sr 22.21853435 15.90427290 6.28862799 0.11293990 -0.07201826 0.12617769 Sr 22.19736404 12.65872600 9.58115775 0.11895116 0.03680305 -0.09568675 Sr 18.97759571 15.83610364 9.57179052 -0.11431470 0.03886284 -0.12484954 Sr -0.05601881 19.05856815 6.32889805 -0.07481018 -0.17900183 0.06121067 Sr 3.20608446 22.24193214 6.35105405 0.12023206 0.10327164 0.02640285 Sr 3.12660888 19.02779248 9.57142623 0.23358378 -0.16780230 -0.06298799 Sr -0.01028813 22.21749483 9.54683141 -0.08418523 0.10410729 0.01965361 Sr 6.31862258 19.04659746 6.40597259 0.02618623 -0.19166365 -0.03152412 Sr 9.53321788 22.27305137 6.34629366 0.00836756 0.07796627 0.02955205 Sr 9.57881568 19.00716560 9.46011784 -0.13530031 -0.23909540 0.03909805 Sr 6.34559374 22.23792053 9.57334686 0.01600341 0.08537188 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0.15886866 0.06763291 Sr 9.52622184 -0.02536665 15.92493477 -0.00693946 -0.08230108 -0.07698191 Sr 6.39460138 3.21717524 15.80242426 -0.06409102 0.08423014 0.06048937 Sr 12.65904755 0.02513027 12.75272316 0.03815642 -0.08406509 -0.02970180 Sr 15.91130948 3.19314742 12.64722980 -0.09974276 0.17862535 0.07888209 Sr 15.90716945 0.02280204 15.88269946 -0.06243880 -0.14308937 -0.07674252 Sr 12.73621396 3.20481447 15.92635503 -0.07385089 0.16014428 -0.17385360 Sr 19.01977373 0.00319967 12.70502419 -0.10326404 -0.11740213 -0.00141384 Sr 22.25521585 3.19150304 12.74534099 0.10012018 0.15804180 -0.04691094 Sr 22.20467201 0.01362490 15.80726132 0.09348440 -0.13102350 0.05571583 Sr 19.00544917 3.18594983 15.91813500 -0.17693630 0.20830309 -0.06698052 Sr 0.00322013 6.31463355 12.67737873 -0.12955319 0.11591129 0.03072756 Sr 3.20346389 9.52915586 12.72868054 0.10063682 -0.09484557 -0.08716071 Sr 3.20406021 6.31103819 15.82341021 0.19574572 0.14317901 0.05894449 Sr -0.03233768 9.54278151 15.92253146 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0.03641132 Sr 19.00613766 15.87233682 15.93523301 -0.14288063 -0.07660268 -0.05320380 Sr 0.05354126 18.98832024 12.72331727 -0.21164865 -0.14097116 -0.06017849 Sr 3.22105632 22.25142725 12.77085776 0.08589196 0.15766323 -0.09177118 Sr 3.13636079 19.00216561 15.80718143 0.25891877 -0.16529683 0.10865385 Sr 0.02077906 22.16973068 15.78691897 -0.16290535 0.13774771 0.04749456 Sr 6.34589072 19.09349394 12.73044342 0.07757631 -0.32156654 -0.07274828 Sr 9.49526616 22.15711151 12.66140046 0.01792545 0.13777682 0.03659548 Sr 9.58654030 19.00068920 15.91384406 -0.08249089 -0.10869629 -0.02912269 Sr 6.36772099 22.23838697 15.83386371 0.05629897 0.07696575 0.07485897 Sr 12.64144419 19.04733170 12.65188670 0.04639583 -0.30156287 0.08762616 Sr 15.86060537 22.15706249 12.74812322 -0.02398975 0.11009250 -0.07334221 Sr 15.88964166 19.00321954 15.89316152 -0.08561221 -0.16939566 -0.02745896 Sr 12.68236832 22.21694049 15.81080350 -0.03028832 0.09112943 0.03499700 Sr 19.01661261 18.98031777 12.69898384 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