500 Lattice="31.51811693818999 0.0 0.0 0.0 31.51811693818999 0.0 0.0 0.0 31.51811693818999" Properties=species:S:1:pos:R:3:forces:R:3 energy=-586.1465291713428 stress="-0.0002864121324170098 -1.2756259356890783e-05 -9.044803127713648e-06 -1.2756259356890783e-05 -0.0002986581884044316 -1.2218706200651292e-05 -9.044803127713648e-06 -1.2218706200651292e-05 -0.0002895270602336147" free_energy=-586.1465291713428 pbc="F F F" Sr 0.03496721 0.04306013 0.02773323 -0.09544838 -0.11360374 -0.09070373 Sr 3.11730694 3.20304427 0.00129121 0.21084079 0.11278489 -0.21102799 Sr 3.18109667 0.05725412 3.21228308 0.06183081 -0.24884973 0.06946786 Sr 0.01967038 3.18292859 3.16473412 -0.23195852 0.11635961 0.16475309 Sr 6.32923270 0.04991578 0.03331303 -0.04665618 -0.18669722 -0.16538372 Sr 9.39684478 3.14335458 0.03820019 0.10999083 0.21009587 -0.19931828 Sr 9.43467655 0.05519973 3.19870197 0.01666529 -0.26941593 0.06674254 Sr 6.28723715 3.14391978 3.15149197 0.00675903 0.29257800 0.18221979 Sr 12.66722238 0.01561167 0.02276910 -0.11600329 -0.19214479 -0.14460008 Sr 15.65244191 3.10752035 0.03821631 0.10871957 0.27081202 -0.22514385 Sr 15.76955863 0.02124896 3.13839575 -0.00967390 -0.19093781 0.21674894 Sr 12.57781860 3.16279725 3.14683703 0.04449893 0.25503372 0.26890509 Sr 18.86581754 0.03663085 0.00464262 0.04983914 -0.12336647 -0.13538089 Sr 22.11191280 3.14085951 0.05053080 -0.09066712 0.15478746 -0.19551196 Sr 22.06713700 0.04469329 3.19058522 -0.05037215 -0.19866959 0.07949070 Sr 18.86242984 3.20908618 3.15781230 0.09857383 0.17324111 0.17425683 Sr 25.24909187 0.00649291 0.02989811 -0.15761588 -0.23397376 -0.21912238 Sr 28.34485287 3.12098132 0.04961208 0.20879923 0.19301289 -0.21202426 Sr 28.37595937 0.00543020 3.09974721 0.19097191 -0.20378236 0.20997049 Sr 25.24276059 3.08931576 3.11485157 -0.17048252 0.29948462 0.28400510 Sr 0.03597444 6.31024713 0.04130103 -0.18439531 0.01937102 -0.20228690 Sr 3.15536551 9.50775153 0.01412875 0.17805693 -0.03562319 -0.24790392 Sr 3.17727777 6.39400564 3.11983098 0.16596199 -0.10070480 0.22024891 Sr 0.04289153 9.40992610 3.11123393 -0.24248193 0.03286344 0.24500782 Sr 6.33642847 6.34122342 0.01113457 -0.00845951 -0.03025498 -0.17330477 Sr 9.50007909 9.41103572 0.01873173 -0.00574038 0.05033042 -0.15398368 Sr 9.51021760 6.34492370 3.18662159 -0.00443155 -0.03667851 0.22658106 Sr 6.32860760 9.38122129 3.12580275 0.10547570 0.13973084 0.28324497 Sr 12.65308629 6.38613037 0.00785003 -0.02046622 -0.06888149 -0.14445034 Sr 15.76592391 9.51300405 0.00780555 0.02408174 0.00237150 -0.10053524 Sr 15.75451758 6.25464842 3.21224583 -0.02643501 0.07730206 0.15826349 Sr 12.67735229 9.44063346 3.20316809 -0.00963021 0.04727914 0.20319885 Sr 18.94382829 6.31221167 0.04449341 -0.07095048 -0.03324095 -0.16726241 Sr 22.06538535 9.41028951 0.03744643 -0.03922395 0.07019544 -0.16355802 Sr 22.11394636 6.32844675 3.20052964 -0.05827313 -0.07998232 0.18616273 Sr 18.94340168 9.40593575 3.16746734 -0.06527960 0.11648069 0.18728073 Sr 25.19131841 6.30579543 0.02800920 -0.05399974 0.02994773 -0.16731762 Sr 28.37132815 9.50851888 0.00893705 0.14508354 -0.07523728 -0.12944454 Sr 28.42763162 6.33707589 3.20738142 0.16145946 -0.04679778 0.04745130 Sr 25.19741414 9.44994790 3.18762263 -0.17216324 0.01439299 0.14464848 Sr 0.00849989 12.55450829 0.05314407 -0.15378562 0.06186801 -0.14081381 Sr 3.09781573 15.80994276 0.00374106 0.26063151 -0.09636287 -0.18218700 Sr 3.18673715 12.56038620 3.19673505 0.16045379 0.09827880 0.14145674 Sr 0.04699907 15.79745424 3.15619286 -0.22378706 -0.08208440 0.19259209 Sr 6.32401179 12.57343228 0.05993234 0.01380810 0.04449988 -0.17785168 Sr 9.46551348 15.78538437 0.02727557 -0.05755484 -0.00198200 -0.24787152 Sr 9.52176180 12.61517879 3.10161883 -0.08850800 -0.09691206 0.39811303 Sr 6.34916464 15.68599273 3.18634385 -0.09224098 0.02953840 0.18189416 Sr 12.53177801 12.66220121 0.05648631 0.09644749 -0.08701779 -0.19850872 Sr 15.72773286 15.71680595 0.03535984 0.03029205 0.04196075 -0.15462779 Sr 15.75629121 12.65718694 3.19381887 -0.00394748 -0.08362247 0.22516641 Sr 12.53273930 15.80846977 3.10525412 0.08277509 -0.05245018 0.34298844 Sr 18.91701460 12.66225180 0.01548578 0.00604826 -0.08478253 -0.14855755 Sr 22.10593242 15.72993750 0.00333475 -0.06196769 0.05324369 -0.17970839 Sr 22.07995847 12.67588698 3.10983806 -0.03075293 -0.12151294 0.28787085 Sr 18.95052500 15.72050048 3.15081465 -0.05147803 0.09066312 0.22901645 Sr 25.22738018 12.53230563 0.05070895 -0.16412291 0.07127159 -0.21052013 Sr 28.42251811 15.70262902 0.03315032 0.09954513 0.02937316 -0.18744609 Sr 28.38207686 12.63523213 3.12416975 0.17853562 -0.01818855 0.22588626 Sr 25.22995794 15.80842737 3.15674751 -0.20144422 -0.06934118 0.20073227 Sr 0.02239224 18.92308870 0.03431614 -0.19288268 0.02345961 -0.17553084 Sr 3.13811616 22.07158657 0.04817614 0.18173738 -0.04195603 -0.23023881 Sr 3.18605836 18.88587986 3.12025628 0.21318427 0.03681473 0.26177737 Sr 0.00860711 22.09956809 3.10141318 -0.18736737 -0.06429060 0.20181014 Sr 6.36148624 18.94225347 0.02841088 -0.08079592 -0.05697673 -0.19668155 Sr 9.46081702 22.03799437 0.02879865 0.04229908 0.03366294 -0.13095250 Sr 9.39585209 18.85598653 3.09542524 0.09582361 0.11340627 0.32291032 Sr 6.29353390 22.03578594 3.16168843 0.06080354 0.06296686 0.22415447 Sr 12.65422717 18.92734364 0.04662782 -0.05719121 0.00128846 -0.22618664 Sr 15.79324240 22.03431883 0.00226691 -0.06088970 0.06938902 -0.17470146 Sr 15.70367337 18.93823245 3.11859888 0.13427682 -0.10127999 0.22788609 Sr 12.63440283 22.05364422 3.13757287 -0.08984975 0.04025424 0.19401709 Sr 18.85846270 18.95882763 0.00880170 0.07765268 -0.09967316 -0.14550524 Sr 22.08519712 22.11789275 0.01413219 -0.05511781 -0.06624384 -0.16497985 Sr 22.02830606 18.93813314 3.14366847 0.02194230 -0.04974367 0.17575911 Sr 18.92782638 22.01484300 3.18778180 -0.01676328 0.04304922 0.19298556 Sr 25.15767138 18.87072426 0.01063100 -0.06396940 0.05736022 -0.17770876 Sr 28.31602143 22.11214127 0.00759778 0.13947992 -0.08351007 -0.16242776 Sr 28.39182715 18.85786148 3.13003108 0.16788445 0.06594119 0.14512008 Sr 25.22302443 22.11143463 3.15951883 -0.21380152 -0.10781055 0.16973089 Sr 0.00139344 25.18551649 0.02174933 -0.13489625 -0.01783297 -0.16532790 Sr 3.18385090 28.42020360 0.06186098 0.07482607 0.11214578 -0.16082682 Sr 3.20581380 25.18603712 3.20145266 0.16685287 -0.15492721 0.13664462 Sr 0.00738773 28.37404070 3.21149043 -0.15036057 0.15204863 0.06460004 Sr 6.30446371 25.15789970 0.00511121 0.03961327 -0.07881365 -0.15312198 Sr 9.47904164 28.34086376 0.02352823 -0.07331610 0.17889399 -0.13152339 Sr 9.49975536 25.26456664 3.19786495 -0.14226721 -0.27363341 0.15329007 Sr 6.25933545 28.36440959 3.20895278 0.14070774 0.13987132 0.12163706 Sr 12.56078572 25.26779497 0.01891265 0.08654172 -0.23890855 -0.20223759 Sr 15.75420175 28.40662512 0.04909847 -0.05686635 0.13762102 -0.18699280 Sr 15.79113841 25.18385703 3.12753965 -0.05504838 -0.20747975 0.25136410 Sr 12.59944309 28.30400769 3.19769498 0.03179494 0.26733859 0.08909169 Sr 18.86497670 25.21228613 0.05928003 0.03491304 -0.15006366 -0.22318165 Sr 22.08029264 28.31048262 0.00877471 -0.06869327 0.18252978 -0.15130736 Sr 22.03624264 25.21790995 3.13683636 -0.03963728 -0.17868684 0.23263253 Sr 18.80631993 28.42291476 3.11020724 0.10734201 0.18985374 0.18377222 Sr 25.19326136 25.23894093 0.01115218 -0.09603973 -0.15409601 -0.26473416 Sr 28.36289593 28.38386125 0.02969982 0.11402549 0.10331474 -0.12303445 Sr 28.38864709 25.20681409 3.11188062 0.24237646 -0.09598208 0.17991450 Sr 25.23814680 28.30755935 3.10938427 -0.15880081 0.25963109 0.20446890 Sr 0.02343681 0.01848367 6.41843463 -0.13589406 -0.14723614 -0.04250819 Sr 3.12779931 3.19851973 6.27812797 0.20245860 0.14241575 0.02880943 Sr 3.19613850 0.04802317 9.50725194 0.05425425 -0.23911660 -0.07624038 Sr 0.00223930 3.16847811 9.47583884 -0.21572534 0.13274404 0.00994425 Sr 6.25200346 0.00100063 6.28072243 0.02531000 -0.18553943 0.03884818 Sr 9.43640436 3.10185427 6.24363979 0.01828133 0.36217641 0.11421390 Sr 9.40304411 0.03404107 9.39397989 0.07842023 -0.16977500 0.05535556 Sr 6.27271012 3.09178518 9.39932157 0.08376942 0.38629096 0.01932559 Sr 12.59604725 0.00560068 6.24199770 0.06674653 -0.16178963 0.06960558 Sr 15.85031841 3.13417500 6.39843630 -0.11830505 0.22125085 -0.10258220 Sr 15.75330514 0.00695259 9.50455596 0.04508926 -0.19323066 -0.08089513 Sr 12.66010602 3.12064874 9.37967520 -0.12366441 0.25896566 0.06251964 Sr 18.93848768 0.06301882 6.22110747 0.00271614 -0.20858814 0.11483314 Sr 22.10708112 3.17435735 6.35241228 -0.07284213 0.24826172 -0.03918400 Sr 22.05533398 0.04240827 9.53093526 -0.02138909 -0.21469825 -0.10436006 Sr 18.95025728 3.12660963 9.41862532 -0.05057928 0.28713980 0.11450266 Sr 25.15999783 0.04717439 6.31439176 -0.07523160 -0.23873397 0.03026272 Sr 28.37482800 3.11745212 6.36604757 0.21368849 0.16288856 -0.09426523 Sr 28.40761562 0.02863887 9.43877696 0.13676987 -0.20095650 0.00609990 Sr 25.27380356 3.15640171 9.43265567 -0.27348302 0.21344169 0.03576225 Sr 0.02986399 6.29323539 6.33872400 -0.17160232 0.08000741 -0.03077770 Sr 3.19681491 9.49474967 6.25942957 0.16225300 -0.10896292 0.09659851 Sr 3.15212034 6.26342415 9.39624902 0.24235416 0.14872340 0.10023698 Sr 0.02666664 9.50711589 9.42016647 -0.10820570 -0.09511187 0.12560189 Sr 6.24779345 6.28193586 6.23890603 0.12283861 0.03978398 0.08789350 Sr 9.50555648 9.45361758 6.34293138 -0.07252854 0.05822570 -0.08724050 Sr 9.40350494 6.33862246 9.38527351 0.03059242 -0.09663252 0.07646542 Sr 6.34509134 9.45555226 9.40192311 -0.08932803 -0.07586770 0.04429279 Sr 12.66082263 6.35569270 6.40642100 -0.06468087 -0.11821070 -0.09182947 Sr 15.78067243 9.40444731 6.38536221 0.06969988 0.10173597 -0.07795950 Sr 15.79203182 6.29853389 9.44782779 0.05492126 -0.03555386 0.11706991 Sr 12.66790473 9.46302656 9.42416771 -0.08281478 -0.02018433 0.14377581 Sr 18.92683271 6.35736927 6.28330267 0.03370782 -0.04838745 0.09085080 Sr 22.08092992 9.41994285 6.31928914 -0.01712533 0.01753840 0.01414334 Sr 22.03311664 6.26421107 9.50965803 0.05320746 0.05829797 -0.07288789 Sr 18.96603139 9.42949441 9.50322664 -0.06841044 0.03783448 -0.02054975 Sr 25.26990947 6.26687522 6.24269143 -0.27199817 0.01341036 0.10898244 Sr 28.31572257 9.44449138 6.25405387 0.21403273 0.03478689 0.08238411 Sr 28.30688764 6.27404097 9.49634650 0.19396932 0.08498337 -0.04748073 Sr 25.23758364 9.44339005 9.39313168 -0.28061417 -0.05012269 0.05065805 Sr 0.03343661 12.52883756 6.35731097 -0.18458449 0.08857294 -0.09801884 Sr 3.08991750 15.77890058 6.31114693 0.28727741 0.02629675 0.02451892 Sr 3.19467775 12.62250297 9.41573856 0.19301437 -0.03985942 0.09297459 Sr 0.01311233 15.70576173 9.50334550 -0.20363071 0.09014708 -0.09310787 Sr 6.24515853 12.57931132 6.36632734 0.19759831 0.01379936 -0.12011662 Sr 9.42070975 15.78359611 6.27964973 0.11502859 -0.07268817 0.08388055 Sr 9.45170838 12.54593099 9.49407641 0.07770427 0.09621232 -0.08142275 Sr 6.37562029 15.70942208 9.40042780 -0.01252004 0.09023701 0.08847659 Sr 12.63948192 12.58738951 6.37150003 -0.07963774 0.07767083 -0.08877981 Sr 15.70488126 15.80772521 6.26125905 0.09118782 -0.02591062 0.09009850 Sr 15.73341139 12.63940112 9.41529413 0.13799977 -0.02382261 0.02522054 Sr 12.59779321 15.72925699 9.50354139 -0.06135534 0.09296564 -0.13857237 Sr 18.95170784 12.55756154 6.31025399 -0.05302816 0.05933972 0.05692271 Sr 22.09921790 15.70631784 6.35821843 -0.07832830 0.05664358 0.01421457 Sr 22.10738581 12.51788145 9.44407334 -0.06531309 0.09142297 0.07243131 Sr 18.93759653 15.79941031 9.53542202 -0.00378525 -0.07320460 -0.12308427 Sr 25.21440592 12.58906151 6.26699748 -0.18103928 0.04172719 0.02953947 Sr 28.37584377 15.74635251 6.34918202 0.12440097 -0.04244714 -0.00507711 Sr 28.34345892 12.52890234 9.49936328 0.15223972 0.10826305 -0.07489242 Sr 25.20216699 15.72239813 9.46801597 -0.18456971 0.03022173 -0.00032517 Sr 0.03838074 19.01274814 6.27892297 -0.15016688 -0.08363350 0.05717702 Sr 3.14493166 22.07526875 6.33360463 0.21383564 -0.08848475 -0.02714348 Sr 3.19499311 18.86278647 9.51566507 0.20649871 0.01315919 -0.10166600 Sr 0.00028956 22.04621150 9.46009305 -0.14101894 0.02440972 -0.00777500 Sr 6.32654930 18.96174256 6.25430735 -0.05007967 -0.07384742 0.08057490 Sr 9.46408001 22.09733341 6.25252022 0.07368771 -0.09403986 0.03030292 Sr 9.42161725 18.96363089 9.39943999 0.05540388 -0.06690998 0.03589291 Sr 6.27922256 22.07193890 9.40642920 0.07049478 -0.09765394 0.12580619 Sr 12.65849214 18.93785734 6.24920322 -0.15350411 -0.04993494 0.13505954 Sr 15.72503962 21.99618054 6.24387925 0.08446308 0.11435830 0.13843766 Sr 15.82171868 18.95977612 9.45000683 -0.02613553 -0.04622531 -0.04318034 Sr 12.58384681 22.04614536 9.50647481 0.06726495 0.00257819 -0.12515553 Sr 18.96656205 18.87370226 6.24254439 -0.05513879 -0.01757078 0.13432643 Sr 22.06886161 22.05532777 6.32214001 -0.00589736 0.02055476 0.04687840 Sr 22.09496564 18.97150079 9.49459543 -0.07610803 -0.10138988 -0.06811574 Sr 18.95309234 22.08812997 9.45937942 -0.06001923 -0.08767352 -0.06546050 Sr 25.17278991 18.90738634 6.24317893 -0.16441190 0.01592943 0.08545260 Sr 28.37577347 22.08572448 6.24151420 0.13147440 -0.06439677 0.06978057 Sr 28.32312534 18.87399068 9.40285636 0.14039874 0.02170590 0.04483727 Sr 25.27025366 22.00510024 9.51346441 -0.22094912 0.09009114 -0.10553223 Sr 0.00960115 25.18848157 6.24529490 -0.20041519 -0.15132004 0.07548591 Sr 3.21183143 28.31794243 6.28347023 0.10321084 0.20948089 0.06825145 Sr 3.20743960 25.20180761 9.39003761 0.12243186 -0.18739773 0.10990989 Sr 0.03044038 28.31889571 9.40024125 -0.17857162 0.13886882 -0.03778572 Sr 6.35685454 25.15829786 6.41856106 0.03302935 -0.13703833 -0.18633546 Sr 9.50175118 28.38038000 6.35312802 -0.08275513 0.16335542 -0.04793566 Sr 9.43504754 25.16312677 9.47832258 0.08307242 -0.20009419 0.00584702 Sr 6.38135922 28.34431802 9.40766596 -0.03969574 0.18556550 0.06649962 Sr 12.59298336 25.26694180 6.29167896 0.07108144 -0.38809539 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