500 Lattice="31.518113005867853 0.0 0.0 0.0 31.518113005867853 0.0 0.0 0.0 31.518113005867853" Properties=species:S:1:pos:R:3:forces:R:3 energy=-586.4962579468296 stress="-4.075252903739637 -0.43727166866217004 -0.6323505374734797 -0.43727166866217004 -3.977310134942627 0.914963897880881 -0.6323505374734797 0.914963897880881 -3.825149066507307" pbc="F F F" Sr -0.05793344 0.05681387 -0.02441809 -0.07424805 -0.09000981 -0.06757259 Sr 3.17160115 3.11688121 -0.03720904 0.13464460 0.15037741 -0.16606333 Sr 3.18916607 -0.03277760 3.15886235 0.08578105 -0.21081457 0.09314822 Sr -0.00612017 3.12992858 3.19412847 -0.18739568 0.17910029 0.06872338 Sr 6.37214524 0.01298212 -0.02010351 -0.00159608 -0.16043907 -0.11972244 Sr 9.40108719 3.18724050 0.05358633 0.10487718 0.07358698 -0.14111223 Sr 9.51484988 -0.05545219 3.18225543 -0.02757179 -0.13873164 0.07882071 Sr 6.25898216 3.12851343 3.18623758 0.10369802 0.20345119 0.17308190 Sr 12.64004564 -0.03809995 0.01442492 -0.07232694 -0.11019954 -0.17509933 Sr 15.74997498 3.12793860 0.05332282 0.07288990 0.15412032 -0.24489858 Sr 15.73765431 -0.05178537 3.09588403 0.07616840 -0.17699752 0.21835843 Sr 12.66406172 3.13030071 3.16262388 -0.11469344 0.24356905 0.18851272 Sr 19.00242400 0.00058240 0.01967454 -0.03539603 -0.14287332 -0.16152768 Sr 22.11718185 3.18325864 -0.00735528 -0.09465346 0.13653919 -0.22629663 Sr 22.08901849 0.06179126 3.15094273 -0.01747657 -0.23788733 0.14148036 Sr 18.94713677 3.15540051 3.09941311 -0.08622151 0.17899777 0.23827026 Sr 25.24278783 -0.04465054 0.05241882 -0.10567774 -0.16634591 -0.21258194 Sr 28.40906601 3.17239223 0.05833383 0.17503028 0.08218981 -0.17928105 Sr 28.30847750 0.03606699 3.20577943 0.21818478 -0.21117166 0.08098002 Sr 25.18700922 3.13820507 3.09595505 -0.15576109 0.20288679 0.31916581 Sr 0.02871159 6.24293896 0.01908868 -0.11981116 0.04388542 -0.11465673 Sr 3.15515174 9.47709922 0.02793498 0.18764365 -0.09857783 -0.16204542 Sr 3.21211152 6.31266356 3.20059076 0.12443649 0.04956927 0.10769610 Sr -0.05222241 9.45704979 3.17274061 -0.15262085 -0.07276748 0.10793988 Sr 6.36352848 6.27638515 0.04731753 -0.07356448 0.09508074 -0.16334053 Sr 9.46332271 9.50734026 -0.01656741 0.05773430 -0.05776385 -0.10941614 Sr 9.43199238 6.37125794 3.16537349 0.08264127 -0.08802129 0.22738881 Sr 6.38124284 9.49211250 3.19241107 -0.07033471 -0.04190249 0.15781153 Sr 12.61896347 6.24813168 0.04788069 -0.03969458 0.09117993 -0.13834528 Sr 15.77450353 9.40084501 0.05794071 -0.06469342 0.04802099 -0.19730426 Sr 15.81248640 6.28803017 3.12866344 -0.07027460 0.00844374 0.28649776 Sr 12.63821431 9.49359940 3.19587312 -0.05969281 -0.05903878 0.10239325 Sr 18.92039534 6.39441259 0.05822437 0.03961405 -0.08949360 -0.19444540 Sr 22.06804252 9.44403798 -0.04482565 0.03880117 0.00262024 -0.08777970 Sr 22.05219887 6.30952500 3.20870077 -0.01134506 0.04390779 0.11436697 Sr 18.86168761 9.46956999 3.19622629 0.11107643 0.05311189 0.17651045 Sr 25.19934758 6.23324795 0.03357482 -0.14776324 0.09597125 -0.23211074 Sr 28.35068977 9.39304801 -0.02163095 0.14010442 0.03458621 -0.17508634 Sr 28.30979206 6.35885456 3.14222621 0.27121117 -0.04927964 0.17295327 Sr 25.26166717 9.41005955 3.13401202 -0.25736367 0.08924265 0.18445507 Sr 0.02421788 12.52709526 -0.00991826 -0.17841478 0.05636130 -0.12742005 Sr 3.14256924 15.69845597 -0.02177577 0.16111007 0.01962904 -0.17822713 Sr 3.21145616 12.60044892 3.09817919 0.15736791 0.03689173 0.29799328 Sr 0.02339393 15.79940154 3.14709994 -0.14526308 -0.06513171 0.08737608 Sr 6.35615747 12.56709784 -0.04977080 -0.00645652 0.05179093 -0.13210687 Sr 9.45083118 15.77329285 -0.00003279 0.03481526 -0.03195173 -0.16654914 Sr 9.43124506 12.68009835 3.18703623 0.09065057 -0.02584834 0.15835188 Sr 6.33939677 15.78903309 3.13586622 -0.06016457 -0.07859292 0.23301209 Sr 12.62208631 12.58391868 -0.01363755 -0.03233041 0.00888089 -0.13705109 Sr 15.74309971 15.72350304 -0.01163919 0.02814550 0.00894264 -0.13624627 Sr 15.71204024 12.57131056 3.14017922 0.13185988 0.08972159 0.21339760 Sr 12.65554845 15.72742572 3.17000719 -0.07002740 0.06687750 0.20496110 Sr 18.92047132 12.54572097 -0.05885451 -0.02807173 0.03747720 -0.07560590 Sr 21.98583521 15.78001890 -0.04700018 0.03131052 -0.00597054 -0.09068321 Sr 22.07684518 12.57292301 3.14430868 -0.07793729 0.05019023 0.14932447 Sr 18.85648851 15.79331873 3.14386006 0.08169717 -0.12529556 0.21107224 Sr 25.25885549 12.64527258 0.05836226 -0.24186678 -0.05327031 -0.22499650 Sr 28.31613813 15.75811386 -0.00485709 0.22189980 0.01456103 -0.19190851 Sr 28.36179727 12.64162883 3.09074167 0.19690995 -0.04304642 0.25419609 Sr 25.19058648 15.83833236 3.09146756 -0.24139530 -0.05926281 0.28442149 Sr 0.03567060 18.91685362 -0.06201819 -0.15853754 -0.02887853 -0.12486000 Sr 3.09790763 22.03832908 0.02064306 0.21478634 0.08022208 -0.21344859 Sr 3.20417087 18.94223845 3.09321368 0.12062664 -0.07411675 0.27678087 Sr 0.01505908 22.06537982 3.14592323 -0.24046858 -0.03774229 0.13965486 Sr 6.26057004 18.89199679 0.01794661 0.06132527 0.04927420 -0.21873373 Sr 9.51395848 22.07161205 -0.01798029 -0.08044636 -0.06718338 -0.15245005 Sr 9.41086234 18.87662201 3.10900129 0.13658611 0.06842409 0.27950116 Sr 6.32320530 22.04071060 3.19029957 0.06656281 0.02035645 0.09528642 Sr 12.62528706 18.88220076 -0.01662490 0.03909931 0.02423764 -0.08409890 Sr 15.80072100 22.09391082 -0.05930703 -0.07182316 -0.05067719 -0.11180026 Sr 15.81630586 18.90213934 3.20817938 -0.14238317 0.04934784 0.09006317 Sr 12.62027462 22.08842993 3.12935666 0.06028163 -0.11411663 0.24984588 Sr 18.86849602 18.90674520 -0.01246115 0.00908983 0.02025188 -0.14554654 Sr 22.07142457 22.02396509 0.05050592 -0.02261439 0.01195098 -0.15248290 Sr 22.00234945 18.94583661 3.20285992 0.02109472 -0.11434451 0.10605278 Sr 18.86204090 22.01443545 3.20134841 0.03909554 0.06173387 0.12147837 Sr 25.27225879 18.89433696 0.03729160 -0.29165401 0.02442948 -0.25958940 Sr 28.30840047 22.06146345 0.05671735 0.17339876 0.03636219 -0.19110180 Sr 28.32059826 18.92371387 3.10578128 0.25315287 -0.03181393 0.28437679 Sr 25.19906746 22.00012397 3.19064194 -0.18424922 0.04588073 0.17691165 Sr -0.03925365 25.27220978 -0.03743479 -0.14344570 -0.12573664 -0.12562238 Sr 3.15298059 28.34537007 -0.02149117 0.06621186 0.15285870 -0.12944556 Sr 3.10087194 25.15368872 3.21369544 0.27453101 -0.09606469 0.02568361 Sr 0.01470258 28.32282789 3.25688161 -0.19331138 0.19891301 -0.00728622 Sr 6.29693376 25.22931085 -0.01472902 0.00147560 -0.20285217 -0.13187172 Sr 9.48206560 28.35578455 -0.05285495 -0.06506475 0.15105545 -0.12510397 Sr 9.44725967 25.15647304 3.14032710 -0.05067547 -0.11837631 0.18720824 Sr 6.25551468 28.40403138 3.12179760 0.06513292 0.14029925 0.14499578 Sr 12.55521023 25.26168007 0.05133595 0.08395551 -0.17719474 -0.20702346 Sr 15.78467402 28.31135777 -0.00479766 -0.06316978 0.18476905 -0.16505777 Sr 15.82007722 25.22574904 3.09372617 -0.10279647 -0.20134353 0.32992022 Sr 12.51356186 28.42434793 3.14983140 0.08372738 0.15538646 0.14646119 Sr 18.91139156 25.22088501 0.00893008 0.09938021 -0.17156520 -0.18794581 Sr 22.13466063 28.35504602 -0.06059201 -0.06179948 0.14060498 -0.09470923 Sr 22.03219568 25.19582877 3.18863005 -0.01057349 -0.14673863 0.14633960 Sr 18.89319479 28.42602344 3.10761108 0.08278822 0.16952973 0.20107039 Sr 25.22237522 25.27156681 0.02139065 -0.17247916 -0.26078288 -0.20375943 Sr 28.30518419 28.35830742 0.05219352 0.15498503 0.12321049 -0.12033899 Sr 28.32720043 25.18456163 3.19858651 0.25539233 -0.11957989 0.13633412 Sr 25.25121252 28.33857250 3.17478937 -0.19622130 0.25620195 0.18305827 Sr 0.00078494 0.04721005 6.27654169 -0.16519573 -0.21131198 0.01097941 Sr 3.09574316 3.19517528 6.29324126 0.29313477 0.12880858 0.03744329 Sr 3.14534394 0.01986162 9.39514173 0.16344661 -0.20565383 0.01401330 Sr -0.01725272 3.11399989 9.41652452 -0.22160672 0.15020641 0.06885760 Sr 6.36643142 0.04532776 6.24887597 -0.04940334 -0.16983002 0.09948826 Sr 9.49754423 3.10795386 6.33850447 0.01289926 0.34484717 -0.05362778 Sr 9.51693611 -0.00916399 9.39738338 -0.06787054 -0.16442339 0.05791091 Sr 6.29109997 3.19753265 9.41510781 0.05555300 0.10531395 0.00187547 Sr 12.60769535 0.04485546 6.28475152 0.05452919 -0.20122003 0.05110344 Sr 15.70590431 3.12662476 6.32703087 0.11791030 0.22759381 -0.02913412 Sr 15.75948565 0.01247375 9.42537924 0.03101188 -0.19160056 -0.01616203 Sr 12.58890807 3.17770420 9.52650975 -0.05300922 0.22838333 -0.07588538 Sr 18.94196668 -0.02548034 6.24525016 -0.07687239 -0.12567283 0.03218457 Sr 21.97212842 3.15220651 6.27941493 0.08213673 0.21662477 0.08013726 Sr 21.96454607 0.04865887 9.49224319 0.05046904 -0.19752053 -0.05627901 Sr 18.86275998 3.12994456 9.50718114 -0.01698827 0.27301759 -0.06537871 Sr 25.19423413 -0.06258598 6.29064583 -0.20306929 -0.13206354 0.05688209 Sr 28.38240956 3.14449754 6.26663388 0.15522712 0.18927735 0.05970242 Sr 28.36616589 -0.02186905 9.38157225 0.15071207 -0.14038217 -0.00128724 Sr 25.16509487 3.11342892 9.41659766 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9.50988384 0.03324605 0.08490793 -0.08494787 Sr 12.66281586 12.59905658 6.28033788 -0.08662437 0.06449398 0.12896022 Sr 15.76355941 15.81649413 6.33402306 0.02162838 -0.12680799 0.00220107 Sr 15.72088636 12.56797915 9.50759642 0.07127699 0.07125091 -0.07327642 Sr 12.65184838 15.81668779 9.41069242 -0.04416301 -0.13992897 0.04200281 Sr 18.95092055 12.63793659 6.29930468 -0.04822201 -0.02310006 0.00386247 Sr 22.11393535 15.73742016 6.32192410 -0.12191693 0.03319029 -0.03224818 Sr 22.05195967 12.60413269 9.49292338 0.02132723 -0.07019552 -0.07137417 Sr 18.92657335 15.74057094 9.36851303 -0.05781791 0.07729495 0.09500689 Sr 25.16648654 12.65591655 6.24250070 -0.13543976 -0.08032615 0.01870601 Sr 28.32594596 15.75861587 6.34164365 0.18724066 -0.00520688 -0.09344368 Sr 28.30970616 12.57883040 9.44214814 0.20611196 0.03727777 0.01013448 Sr 25.26906167 15.71844671 9.41394452 -0.31322625 0.00057469 0.14252939 Sr -0.00452180 18.86105598 6.22344200 -0.12626724 0.08003235 0.09458327 Sr 3.20755121 22.09578695 6.24620846 0.11104390 -0.08674378 0.12353528 Sr 3.09159402 18.95170791 9.40540965 0.27616066 -0.06670308 0.01855251 Sr 0.03514395 22.08897155 9.46092857 -0.18629899 -0.06028634 -0.05626762 Sr 6.33050825 18.91484859 6.27352346 0.00246498 -0.02674812 0.10438925 Sr 9.47818227 22.08513479 6.37141068 -0.02438208 -0.09614909 -0.06257752 Sr 9.50825712 18.86706891 9.40985278 -0.13277299 0.06028713 0.08405474 Sr 6.24753884 22.00783245 9.43508656 0.08959571 0.01068193 0.04257568 Sr 12.63479659 18.92408885 6.28645942 -0.06427475 0.00963876 -0.08380161 Sr 15.81118605 22.04543685 6.38052836 -0.09601750 0.05301652 -0.08840645 Sr 15.73247342 18.92861500 9.42667548 0.14556758 -0.06820351 0.09301761 Sr 12.62500802 22.00062824 9.40656859 -0.03400301 0.09809207 0.03800890 Sr 18.91291782 18.93689878 6.27167642 0.05364414 -0.08093683 0.14628755 Sr 22.12550488 22.00195600 6.26976052 -0.09735754 0.08176887 0.07137268 Sr 22.12410101 18.93831388 9.42465333 -0.13088847 -0.07104282 0.07554350 Sr 18.97139801 22.05069129 9.39296072 0.00544683 -0.04004561 0.13183434 Sr 25.16763196 18.85797828 6.35788724 -0.07283596 0.06376662 -0.03233684 Sr 28.37662238 22.05638098 6.34074807 0.10231913 -0.07137960 0.03482602 Sr 28.38440440 18.85516690 9.47734469 0.10037478 0.08000819 -0.02976155 Sr 25.15715636 22.10381037 9.47776846 -0.07210461 -0.07266001 -0.00989952 Sr 0.00336214 25.22078797 6.30851841 -0.23123629 -0.19967337 0.07669517 Sr 3.11166303 28.34899171 6.27737802 0.23754043 0.18968652 0.10710851 Sr 3.09189814 25.23246181 9.50083276 0.34372809 -0.23823275 -0.08764569 Sr 0.03718912 28.33092150 9.52162750 -0.19496650 0.20638750 -0.06057531 Sr 6.33632935 25.22247357 6.26425269 -0.03635078 -0.19467145 0.11474438 Sr 9.42560155 28.30931920 6.29503634 0.01412535 0.16898054 0.01944296 Sr 9.47088693 25.17530103 9.48565902 -0.00737494 -0.16131387 0.02633435 Sr 6.35510880 28.38776304 9.44071709 -0.04355906 0.09161541 -0.02095719 Sr 12.58017662 25.21482609 6.26450887 0.09724928 -0.21539526 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