256 Lattice="25.386945210747946 0.0 0.0 0.0 25.386945210747946 0.0 0.0 0.0 25.386945210747946" Properties=species:S:1:pos:R:3:forces:R:3 energy=-276.6893095450976 stress="-0.0004181523620229297 2.817595729460572e-06 1.646852483916368e-05 2.817595729460572e-06 -0.00040296216081839195 -1.2061910996081204e-05 1.646852483916368e-05 -1.2061910996081204e-05 -0.0004038388261374102" free_energy=-276.6893095450976 pbc="F F F" Sr 0.04321224 0.00877643 0.06126111 -0.11207493 -0.12401938 -0.10622613 Sr 3.15866932 3.12608250 0.05194302 0.17881205 0.19812859 -0.21560501 Sr 3.19193304 0.03769263 3.20887002 0.18142811 -0.27573223 0.08357220 Sr 0.02203203 3.12300997 3.19885046 -0.24736894 0.24152468 0.09402076 Sr 6.37603682 0.03067677 0.00645683 -0.00347601 -0.11962254 -0.11226095 Sr 9.58494114 3.14654985 0.05243610 -0.08830798 0.22884668 -0.17857627 Sr 9.55388089 0.04326669 3.13573067 -0.04105351 -0.18215219 0.23760695 Sr 6.35807859 3.20120168 3.21486737 0.01808136 0.23193006 0.11227600 Sr 12.64972105 0.01553443 0.05979703 0.06562327 -0.15526671 -0.15547724 Sr 15.81115590 3.19367199 0.05186903 0.07595726 0.14937519 -0.20998927 Sr 15.91327265 0.03634582 3.12408879 -0.07224137 -0.17283968 0.25008952 Sr 12.73418773 3.22109806 3.20862298 -0.04570290 0.16159422 0.23305642 Sr 19.04031763 0.05482606 0.02998259 -0.09515526 -0.16471684 -0.18927902 Sr 22.17854105 3.19563713 0.04224780 0.18240489 0.08627753 -0.21219833 Sr 22.25039130 0.02018728 3.16076893 0.14476190 -0.16700265 0.12019184 Sr 19.09041251 3.16703070 3.18017247 -0.27279442 0.19857468 0.21159867 Sr 0.05583515 6.38912995 0.03578690 -0.17838396 -0.06117622 -0.15665533 Sr 3.17764461 9.47941379 0.01798608 0.15647986 0.07766480 -0.22151617 Sr 3.14658020 6.37269382 3.13076920 0.21725982 -0.05513676 0.30799459 Sr 0.00567794 9.55077970 3.11868846 -0.18084488 -0.01717141 0.23255008 Sr 6.33178552 6.39413577 0.01466515 0.04810583 -0.08502165 -0.15737216 Sr 9.59468120 9.46527388 0.00132790 -0.04819598 0.09334677 -0.09795021 Sr 9.50165312 6.40328455 3.14150724 0.03901716 -0.00860326 0.30155634 Sr 6.29160663 9.44015549 3.20898534 0.12274876 0.09790265 0.22206430 Sr 12.69563505 6.29980145 0.02257746 0.00448548 0.06743169 -0.12394475 Sr 15.81138763 9.50966102 0.05752356 0.02425107 0.05695830 -0.12439386 Sr 15.90029391 6.33778158 3.15524211 -0.05390762 0.02416578 0.25622061 Sr 12.71762064 9.55633541 3.19794848 -0.04159208 -0.06873287 0.16332005 Sr 19.10273500 6.42689429 0.05531984 -0.23060756 -0.04585223 -0.21950774 Sr 22.20924835 9.57902760 0.03063040 0.17976476 -0.04578136 -0.16461077 Sr 22.23405926 6.32392223 3.11473278 0.19513299 0.06466122 0.22692177 Sr 19.06242311 9.48161986 3.20542615 -0.26444969 0.08625749 0.22601176 Sr 0.03821608 12.71412294 0.05070180 -0.16947914 -0.01031112 -0.18136750 Sr 3.18511249 15.80387789 0.06338487 0.21450655 0.08873987 -0.17676481 Sr 3.16547628 12.65672141 3.12212394 0.24476462 0.02578061 0.32705820 Sr 0.00245089 15.91118552 3.15490178 -0.16881457 -0.05520537 0.17450380 Sr 6.35631070 12.67037397 0.04232491 0.04069846 -0.07507404 -0.10391966 Sr 9.43183321 15.82667702 0.00198224 0.05256464 0.04967537 -0.14849245 Sr 9.57712444 12.74189149 3.17967059 -0.06715639 -0.11528985 0.22882397 Sr 6.39336444 15.84918339 3.23118560 -0.06727984 -0.00106006 0.17323468 Sr 12.67234534 12.76168751 0.01718244 0.00216061 -0.05365288 -0.14186862 Sr 15.89622305 15.79129590 0.02867024 -0.02814405 0.08839479 -0.12427763 Sr 15.81123978 12.76643947 3.20570215 0.07051823 -0.07265577 0.16171417 Sr 12.63065494 15.90604354 3.16051648 0.05826827 0.00737633 0.25682318 Sr 19.10145260 12.67092013 0.04030836 -0.26445694 -0.03424780 -0.18956968 Sr 22.17246767 15.89670833 0.02540380 0.17772758 -0.02165370 -0.14479258 Sr 22.16021109 12.64187036 3.14815439 0.21566569 0.06110957 0.25665344 Sr 19.08721518 15.81460087 3.15333204 -0.27718607 0.05330910 0.28313698 Sr 0.03799859 19.02663695 0.01223059 -0.13779661 -0.08739463 -0.16861872 Sr 3.23077420 22.16986628 0.02305777 0.05719018 0.15476982 -0.13506633 Sr 3.13783332 19.01306540 3.23482446 0.29542749 -0.19451231 0.11402348 Sr 0.00439995 22.18093633 3.20653974 -0.15127269 0.16575903 0.06442847 Sr 6.41012681 19.09568551 0.04894672 -0.06852499 -0.26369030 -0.18138528 Sr 9.47584592 22.26966616 0.00475489 0.07580780 0.13544827 -0.10883405 Sr 9.51491161 19.04895226 3.17057003 0.08407768 -0.19333751 0.22862968 Sr 6.37836124 22.15421820 3.15399748 -0.02934506 0.18791874 0.24521170 Sr 12.67287646 19.08425194 0.01663630 -0.01673585 -0.20354184 -0.16025055 Sr 15.82537522 22.21943966 0.01078637 0.02536953 0.13113383 -0.17425244 Sr 15.85815181 19.08657829 3.17196409 0.01363361 -0.34323756 0.17037864 Sr 12.77157369 22.26531042 3.18018041 -0.10997382 0.14348954 0.14094917 Sr 19.05626023 19.04914104 0.03028235 -0.19812777 -0.13006813 -0.22079702 Sr 22.21913825 22.23767359 0.04033700 0.08890066 0.09261597 -0.10052556 Sr 22.15127668 19.09138071 3.16690345 0.22634680 -0.16731996 0.17210779 Sr 19.00349112 22.23465731 3.12972167 -0.10017173 0.21971695 0.19450212 Sr 0.02093487 0.03426379 6.30248210 -0.16216093 -0.18793282 0.06787941 Sr 3.14953401 3.12257164 6.28345192 0.21673928 0.33602682 0.10401171 Sr 3.22464554 0.01643143 9.48923844 0.10028643 -0.18118388 0.03204067 Sr 0.05194718 3.12633526 9.53479388 -0.14732955 0.17542520 -0.03849165 Sr 6.35124506 0.05811828 6.33555248 0.06654546 -0.15335128 0.01297186 Sr 9.51525115 3.22548828 6.29641242 0.01835846 0.21238585 0.08703182 Sr 9.53744188 0.03759635 9.43900807 -0.05182925 -0.08598231 0.04929059 Sr 6.28425407 3.20100749 9.53134906 0.08201074 0.21268296 -0.01629643 Sr 12.63610599 0.00691220 6.39451794 0.04979424 -0.13657612 -0.11060118 Sr 15.80511698 3.16076434 6.37747133 0.09426550 0.24184085 -0.02488288 Sr 15.81877307 0.05056825 9.47362881 0.03722563 -0.15744640 0.08451972 Sr 12.72414120 3.17327600 9.49580520 -0.06101099 0.26515323 0.09148185 Sr 19.06714562 0.00238267 6.38257799 -0.16151839 -0.13633365 -0.01401651 Sr 22.20417748 3.19273869 6.32065373 0.16683694 0.12257183 0.06283978 Sr 22.16888701 0.03453571 9.58971231 0.14239526 -0.14728665 -0.05325959 Sr 19.01930832 3.18812937 9.54977561 -0.22797513 0.19918225 -0.05848597 Sr 0.00849307 6.37269513 6.34306795 -0.15891720 -0.04375772 -0.01566713 Sr 3.13219760 9.45911079 6.39586077 0.23745378 0.09671714 -0.11158496 Sr 3.14414374 6.40410340 9.45852233 0.25824485 -0.08020425 0.13608710 Sr 0.02104952 9.54904307 9.48790539 -0.18108723 0.00618811 0.03812013 Sr 6.33892183 6.32681478 6.44319295 0.04727325 0.05594101 -0.08824686 Sr 9.58212172 9.56981263 6.35810003 -0.05795186 -0.10003483 -0.05933908 Sr 9.52891297 6.38760831 9.53728547 -0.01614470 -0.03449533 -0.01061108 Sr 6.36850046 9.57089921 9.45876810 -0.01355969 -0.06526924 0.11008471 Sr 12.72093406 6.35005279 6.40918700 -0.03091011 0.06710995 -0.03582361 Sr 15.81401220 9.53334130 6.29520596 0.07520920 -0.03850637 0.09496916 Sr 15.86769920 6.43587755 9.58898837 -0.02427869 -0.06432199 -0.07960989 Sr 12.65212158 9.55981639 9.54806926 0.06935454 -0.01015389 -0.04044935 Sr 19.01714618 6.32775212 6.33313049 -0.21010569 0.03009420 0.05777556 Sr 22.22905512 9.49111961 6.34676865 0.07819865 0.02756407 0.06262107 Sr 22.19763535 6.31041160 9.51915600 0.11082916 0.07035655 -0.00800005 Sr 18.99305909 9.46181717 9.55819375 -0.14739796 0.05756599 -0.04954398 Sr 0.04339235 12.74852339 6.28055903 -0.13461236 -0.04801306 0.02981254 Sr 3.17613570 15.87365280 6.40634836 0.25666440 -0.07825949 -0.06965610 Sr 3.16492299 12.66533356 9.47347650 0.23843611 0.05123367 0.04572641 Sr 0.00635123 15.89110684 9.46914703 -0.12966454 -0.03380105 0.09163289 Sr 6.34562944 12.63621881 6.31018761 -0.00752417 0.06572539 0.01306388 Sr 9.50084418 15.87004970 6.38655215 0.07064768 -0.04999874 0.02316622 Sr 9.50322738 12.63434528 9.47367021 0.00290110 0.13521641 0.07037104 Sr 6.34493633 15.85885523 9.58051707 0.05768318 -0.10330061 -0.06587874 Sr 12.75421861 12.64846594 6.37144785 -0.09976676 0.08652714 0.01495661 Sr 15.81829805 15.80678876 6.40544121 0.05460170 0.11440257 -0.05030208 Sr 15.92728363 12.70341074 9.48114189 -0.06501138 -0.06074738 0.09160154 Sr 12.66490995 15.81898951 9.49199743 -0.02873075 0.02235842 0.09446288 Sr 19.01704444 12.73714768 6.39297569 -0.13998281 -0.09223246 -0.03373660 Sr 22.21804744 15.89515389 6.38834296 0.13901111 -0.07134984 -0.08546697 Sr 22.17510183 12.74195653 9.55971071 0.12690106 -0.08074224 -0.07233006 Sr 19.09696533 15.87627641 9.54592085 -0.33998777 -0.04092606 -0.05637085 Sr 0.00922451 19.02605016 6.33184287 -0.20064554 -0.13172782 0.05728910 Sr 3.17977144 22.16784484 6.32472259 0.20807214 0.18943451 0.00859342 Sr 3.21978345 19.05597326 9.45816251 0.10675056 -0.20822323 0.06903765 Sr 0.05275699 22.24378528 9.46469521 -0.13388782 0.09754249 0.02499699 Sr 6.38509463 18.98309942 6.40225056 -0.01597967 -0.11845916 -0.03718865 Sr 9.54825987 22.16008385 6.31887916 -0.01847192 0.15021933 0.02793914 Sr 9.51103929 19.09320436 9.47762095 0.05405398 -0.26296169 0.11650053 Sr 6.32017588 22.25767245 9.57299577 0.09003994 0.11987717 -0.09993482 Sr 12.80805960 19.06479347 6.37730797 -0.12514795 -0.28754299 -0.03763710 Sr 15.87892271 22.19002771 6.33446414 0.05257376 0.16743667 0.05307253 Sr 15.86777307 19.04771410 9.58010529 -0.00209256 -0.24132883 -0.04155195 Sr 12.75310525 22.16249020 9.47276383 -0.05917891 0.15928193 0.09356938 Sr 19.02899915 19.02722339 6.32938661 -0.25456982 -0.20363630 0.03601891 Sr 22.21687174 22.16449721 6.41168927 0.10411545 0.14231005 -0.02685449 Sr 22.16701847 18.98090272 9.48675468 0.17882117 -0.06130326 0.04094589 Sr 19.03439491 22.24630252 9.54212957 -0.14994291 0.12182902 -0.01528000 Sr 0.04310944 0.01922125 12.72458374 -0.12813163 -0.14540500 -0.00798557 Sr 3.16905595 3.15229543 12.75425460 0.23122569 0.23827470 -0.06630424 Sr 3.20103002 0.05257565 15.88024522 0.16722095 -0.18481695 -0.02844529 Sr 0.01267347 3.18303552 15.91373204 -0.15850413 0.19063416 -0.02896647 Sr 6.42154336 0.04802094 12.63692246 -0.03207015 -0.16419087 0.03409317 Sr 9.50897410 3.16773887 12.70216356 0.10119953 0.24333937 -0.08229522 Sr 9.56876952 0.05718577 15.83585483 -0.07286160 -0.16115891 0.05134137 Sr 6.38583652 3.15937841 15.85086122 -0.01923238 0.18454841 0.04246491 Sr 12.63686048 0.00577195 12.67153675 0.08167271 -0.10085740 -0.01241970 Sr 15.90236702 3.19676796 12.73818332 -0.14912158 0.16058029 -0.08580088 Sr 15.86647539 0.05889497 15.89576865 -0.03460522 -0.18074254 -0.07395932 Sr 12.72646071 3.11717310 15.91123683 -0.05409681 0.37211582 -0.14122916 Sr 19.01358781 0.02573810 12.71893393 -0.16978731 -0.18350665 -0.03450460 Sr 22.23367220 3.17703602 12.62200739 0.17346370 0.14248204 0.08955144 Sr 22.16555686 0.00552717 15.85449539 0.17013756 -0.10688431 -0.04430095 Sr 19.04093440 3.20601974 15.79086592 -0.17960737 0.17586600 0.06334685 Sr 0.06304620 6.29738529 12.65934595 -0.11447080 0.08129127 0.03210349 Sr 3.20530527 9.56621931 12.67587039 0.24725977 -0.08622954 -0.01561882 Sr 3.22245322 6.35947999 15.89335254 0.14874997 0.02508315 -0.02168199 Sr 0.04285674 9.57584725 15.80697230 -0.07810527 -0.09457590 0.05348678 Sr 6.39464001 6.28599957 12.73022434 -0.08335388 0.12661300 -0.12698403 Sr 9.46948230 9.57495095 12.65845734 0.02830002 -0.04550155 0.07337806 Sr 9.47150863 6.30476510 15.83601235 0.16883402 0.09478367 -0.00246797 Sr 6.33527555 9.47378459 15.84126172 0.03387495 0.05866902 0.03872349 Sr 12.70668125 6.38534349 12.63775459 -0.09197948 -0.04103457 0.11465179 Sr 15.75881980 9.55592860 12.71121870 0.09700271 -0.02247251 -0.01240500 Sr 15.83022597 6.37084813 15.80472731 -0.03908334 0.05984783 0.04070901 Sr 12.62996192 9.57523907 15.91836386 0.01074480 -0.10377233 -0.08400236 Sr 19.04573031 6.30225528 12.72935298 -0.18708973 0.14984081 -0.04363578 Sr 22.22720101 9.57646908 12.64954684 0.11697013 -0.09292359 0.04457961 Sr 22.16961780 6.30408385 15.88436788 0.14651219 0.09321922 -0.06722760 Sr 19.00609442 9.54522083 15.80540641 -0.14457250 -0.09488803 0.03395540 Sr 0.03676033 12.64395680 12.70420836 -0.13209460 0.10410203 -0.04416791 Sr 3.15078030 15.86535875 12.65897638 0.17367933 -0.02386795 -0.04048710 Sr 3.22921090 12.78244662 15.83469082 0.15039224 -0.09911948 0.04732539 Sr 0.00794566 15.92534606 15.84692679 -0.16282701 -0.10579862 -0.03549246 Sr 6.34288895 12.73875186 12.75086811 0.03091202 -0.05197234 -0.09438266 Sr 9.49573578 15.82597354 12.73751120 0.05743389 -0.01552980 -0.06378251 Sr 9.46597164 12.65129368 15.92740433 0.06056412 0.03845138 -0.11290963 Sr 6.29720719 15.84931289 15.90306083 0.10092777 0.05156854 -0.05891365 Sr 12.73966615 12.65153222 12.70236749 -0.09977676 0.12018306 0.00890781 Sr 15.89272493 15.83115021 12.64515311 -0.10519770 -0.02467176 0.08772409 Sr 15.88286380 12.63800778 15.87350813 -0.08958929 0.11278164 0.01477430 Sr 12.64158123 15.88495867 15.89862059 0.10480713 -0.16650378 -0.10178456 Sr 19.05116822 12.64394279 12.71749612 -0.26949535 0.00855226 -0.08657607 Sr 22.15286740 15.88202681 12.64556571 0.21729400 -0.01644625 0.04274704 Sr 22.18774604 12.74486244 15.84892208 0.18050752 -0.09121838 0.01921582 Sr 19.09624013 15.80199976 15.76103544 -0.36297096 0.07558875 0.09612417 Sr 0.02458269 19.08512623 12.72839985 -0.15679354 -0.15667291 -0.12812161 Sr 3.22447930 22.21024061 12.62136236 0.08783151 0.14720483 0.08472980 Sr 3.13153215 18.98509177 15.83633656 0.30331625 -0.09511131 -0.02236256 Sr 0.06245167 22.18430742 15.85313206 -0.12351490 0.18714879 -0.02824040 Sr 6.30709175 19.00344152 12.64783282 0.10179607 -0.16295836 0.10136280 Sr 9.50395589 22.23131696 12.73238241 -0.00181155 0.07671904 -0.03726910 Sr 9.54802611 19.00386897 15.86951397 -0.11492114 -0.15513401 -0.01357082 Sr 6.30557345 22.21768752 15.91110758 0.00409213 0.07376394 -0.06426206 Sr 12.69419266 19.03612097 12.75692258 -0.00530198 -0.25378081 -0.14145928 Sr 15.87891571 22.26737045 12.71468942 -0.02149786 0.09168441 -0.01217413 Sr 15.81269034 19.07647587 15.92208314 0.13719458 -0.29823112 -0.17439076 Sr 12.70239698 22.15384423 15.81395752 -0.04377533 0.18856347 0.06990101 Sr 18.99550847 18.99678687 12.65546473 -0.17990231 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