500 Lattice="31.37213665901659 0.0 0.0 0.0 31.37213665901659 0.0 0.0 0.0 31.37213665901659" Properties=species:S:1:pos:R:3:forces:R:3 energy=-620.2025558658205 stress="-0.0003110029936128753 -8.333917258634409e-07 -2.9968320636240498e-05 -8.333917258634409e-07 -0.00030177813648348933 -5.85764271106563e-05 -2.9968320636240498e-05 -5.85764271106563e-05 -0.00031938311167955554" pbc="F F F" Sr 0.01215166 0.00608855 0.00553581 -0.10999124 -0.13592939 -0.11685850 Sr 3.13572571 3.09634307 0.01755708 0.18396610 0.21285158 -0.28522478 Sr 3.14503579 0.05586447 3.16591116 0.16107046 -0.34286479 0.09790327 Sr 0.01095742 3.07543578 3.13088620 -0.27615438 0.23593584 0.14297040 Sr 6.27394048 0.01429246 0.01301900 0.04941574 -0.15332585 -0.14691814 Sr 9.43289373 3.17245002 0.05876161 -0.04471141 0.07351760 -0.23029408 Sr 9.39677507 0.02161517 3.19292258 0.04724108 -0.20321862 0.10829453 Sr 6.21639384 3.10946875 3.19929184 0.09875620 0.27217576 0.13888093 Sr 12.54213721 0.04128260 0.01882317 -0.03731809 -0.20803981 -0.16230129 Sr 15.63240867 3.09975101 0.04518463 0.10476486 0.22074541 -0.21554597 Sr 15.66224643 0.02288392 3.18648398 0.08492058 -0.22882025 0.14490255 Sr 12.59468037 3.09602054 3.16158873 -0.06741369 0.31690173 0.27015392 Sr 18.84604901 0.05139623 0.06047401 -0.07918196 -0.19491155 -0.17537403 Sr 21.88655308 3.12799390 0.01941334 0.08962933 0.18497095 -0.25294390 Sr 21.93837269 0.03638932 3.10968556 -0.00771935 -0.26485539 0.18378936 Sr 18.84177154 3.17213137 3.18356529 -0.14343985 0.16091435 0.21099848 Sr 25.07398665 0.02495996 0.05532201 -0.08244258 -0.17746992 -0.23297799 Sr 28.29151534 3.19058537 0.03203434 0.17502640 0.07319904 -0.20092249 Sr 28.23569393 0.04690106 3.12854421 0.21397461 -0.24635307 0.09984177 Sr 25.12182715 3.09678840 3.13110383 -0.25351524 0.33344636 0.18219776 Sr 0.01794828 6.27045126 0.02099349 -0.13880110 0.04231847 -0.14477086 Sr 3.19733882 9.46669806 0.03904819 0.10925856 -0.07427441 -0.25182254 Sr 3.16214263 6.23042819 3.10726546 0.16836669 0.07811628 0.29534131 Sr 0.05598722 9.43182562 3.18036202 -0.22144936 -0.05872421 0.14975219 Sr 6.33886190 6.33597431 0.05719758 -0.09284726 -0.11074540 -0.26434364 Sr 9.41503126 9.38184393 0.05238381 0.02335543 0.08762625 -0.21194360 Sr 9.35835824 6.17747670 3.09690060 0.15480957 0.07928685 0.40060534 Sr 6.31373326 9.37047483 3.08619800 -0.03851652 0.12531428 0.39376665 Sr 12.56073029 6.26146592 0.00725165 0.04384922 0.05548611 -0.13665512 Sr 15.73513919 9.45070469 0.01923077 -0.08281677 -0.03969594 -0.17400114 Sr 15.72364240 6.26877405 3.17755361 -0.05046651 0.00112583 0.16153251 Sr 12.51029937 9.42132503 3.09449960 0.07091615 -0.04384765 0.28303108 Sr 18.85459064 6.27159113 0.05616886 -0.13225604 -0.01471988 -0.25297777 Sr 21.90865555 9.39832718 0.05122248 0.05684737 0.02132861 -0.25342973 Sr 21.90404705 6.23589151 3.07475406 0.13688154 0.08795011 0.35960570 Sr 18.84481921 9.40862556 3.08237522 -0.00719614 0.03569724 0.36993689 Sr 25.14265490 6.26410666 0.00412852 -0.19104701 0.03804645 -0.17722460 Sr 28.29711139 9.45859858 0.01339465 0.16113965 -0.08693717 -0.16839287 Sr 28.27791276 6.27039849 3.16889420 0.14138148 0.07682965 0.14549920 Sr 25.06949374 9.44881127 3.08285008 -0.18430022 -0.13826075 0.28348699 Sr 0.04783574 12.55797383 0.02094288 -0.20861792 -0.03349646 -0.21003893 Sr 3.12403827 15.70660139 0.00602622 0.24659636 0.03053298 -0.20021212 Sr 3.12885221 12.53830465 3.07748156 0.30398725 0.01741352 0.38486227 Sr 0.03216264 15.65829401 3.09267680 -0.22748246 0.02299008 0.22638892 Sr 6.27790525 12.63251178 0.04452364 0.06019043 -0.08501867 -0.20803780 Sr 9.40860880 15.66054661 0.00037648 0.01591270 0.10842355 -0.12155802 Sr 9.41201909 12.56727801 3.17892592 0.01102777 -0.04906503 0.19976850 Sr 6.33715167 15.63291150 3.16062657 -0.08631886 0.13721417 0.21123153 Sr 12.48004827 12.60329662 0.01814335 0.06443940 -0.07468670 -0.17447515 Sr 15.63237414 15.71945740 0.02210328 0.03620701 -0.00350391 -0.20775742 Sr 15.72899048 12.56593881 3.08354253 -0.07879180 -0.08219596 0.27449374 Sr 12.59605612 15.63142089 3.18020001 -0.13356398 0.07507936 0.16074818 Sr 18.83522367 12.56949495 0.03174245 0.00605582 0.04156876 -0.21540921 Sr 21.92641433 15.72869537 0.05648214 0.02318851 0.00095632 -0.18661443 Sr 21.97770250 12.53183874 3.12693776 -0.04817381 0.08910568 0.29224420 Sr 18.79227692 15.68045410 3.14073961 0.03124192 0.06322579 0.24340777 Sr 25.15840564 12.50252217 0.04891562 -0.25537573 0.05476540 -0.29129841 Sr 28.18042928 15.73692150 0.02978669 0.21549890 -0.03443604 -0.20798482 Sr 28.26338194 12.49954768 3.10680322 0.21829527 0.09858966 0.25508936 Sr 25.14647606 15.66489787 3.08289396 -0.32239136 0.01545084 0.35789046 Sr 0.02843535 18.76576467 0.00957542 -0.17073621 0.06360327 -0.17390349 Sr 3.15408479 21.98131418 0.03967743 0.12180250 -0.08124936 -0.26316993 Sr 3.11288674 18.84030498 3.16781044 0.27570310 -0.09601599 0.16788039 Sr 0.00240874 21.96614873 3.10181999 -0.25027921 -0.09168836 0.21077811 Sr 6.28752895 18.88518225 0.00535339 0.05675707 -0.07130789 -0.11792640 Sr 9.47026315 22.04387020 0.04710831 -0.13769509 -0.07929774 -0.19838968 Sr 9.44374142 18.86891282 3.18280595 -0.11308797 -0.09149892 0.16937798 Sr 6.22799052 21.98506807 3.10693289 0.15861708 -0.07150235 0.30082401 Sr 12.49422034 18.86504367 0.04653441 0.00092843 -0.10034144 -0.19753771 Sr 15.64476357 21.92643539 0.05205292 0.01061645 0.06613090 -0.15060538 Sr 15.63214507 18.77761242 3.15902468 0.05510775 0.03359327 0.24469488 Sr 12.49095642 21.90269302 3.13188942 0.10974434 0.17298330 0.32935245 Sr 18.74916910 18.91491316 0.06215523 0.02852015 -0.08623668 -0.16639537 Sr 21.95506502 21.92972613 0.01639642 -0.01408973 0.04726754 -0.18417027 Sr 21.94389148 18.86515900 3.10614666 0.01415317 -0.08289840 0.26793520 Sr 18.81660415 22.00181517 3.19365458 -0.00543319 -0.05295779 0.15430154 Sr 25.14960501 18.89528673 0.00831794 -0.19634548 -0.04176886 -0.22660506 Sr 28.28167914 22.01208463 0.06124960 0.16493676 -0.03218309 -0.15862199 Sr 28.22456377 18.79120426 3.17604365 0.25309723 0.01735258 0.11148427 Sr 25.11259409 21.90266668 3.14257925 -0.20437224 0.07170284 0.17991607 Sr 0.04106390 25.04471605 0.04663615 -0.23169307 -0.04314416 -0.20976030 Sr 3.08351542 28.22206183 0.05307131 0.12458300 0.20400693 -0.19944077 Sr 3.10634148 25.07272492 3.15694711 0.18433614 -0.13136676 0.22798536 Sr 0.01279026 28.28938622 3.19176278 -0.19327006 0.15047406 0.09622029 Sr 6.22600629 25.12445819 0.05126173 0.07461034 -0.14420925 -0.25527586 Sr 9.46739929 28.22296885 0.03619019 -0.04568242 0.18889301 -0.15117488 Sr 9.40096350 25.16025868 3.14050404 0.03676387 -0.27126482 0.31501369 Sr 6.23202289 28.18529405 3.17181641 0.05167589 0.25170256 0.13250377 Sr 12.49324573 25.07782047 0.02537194 0.13866105 -0.10095287 -0.17923084 Sr 15.70433347 28.23734254 0.05673788 -0.03540624 0.15455010 -0.21417290 Sr 15.73574629 25.13155541 3.12922845 -0.11366574 -0.31386408 0.25162728 Sr 12.61617889 28.25082514 3.17706102 -0.04743178 0.18530646 0.12932894 Sr 18.85415471 25.12359317 0.03700628 -0.02066741 -0.22913656 -0.21508074 Sr 21.91138290 28.23555860 0.05215630 0.03230523 0.16578918 -0.13639466 Sr 22.00523762 25.04203491 3.17663087 -0.02803727 -0.14084731 0.15457316 Sr 18.79392002 28.24715441 3.14512307 0.05726193 0.22067179 0.15733149 Sr 25.11784995 25.15228329 0.06071081 -0.17416894 -0.19673898 -0.26563083 Sr 28.25789186 28.28956430 0.01003912 0.11572785 0.09078580 -0.10300742 Sr 28.22004022 25.11192305 3.15351820 0.26691001 -0.14614210 0.13917441 Sr 25.15834662 28.25885977 3.13607402 -0.22937689 0.25768865 0.14304350 Sr 0.05515553 0.00469388 6.24360939 -0.18597978 -0.17396283 0.12573520 Sr 3.11442996 3.08609980 6.29411932 0.26181696 0.34388616 0.12668334 Sr 3.17675008 0.03273817 9.50714230 0.10756403 -0.26844972 -0.11935303 Sr 0.04655206 3.19213408 9.50822842 -0.22132895 0.04544432 -0.08949664 Sr 6.30700239 0.05020861 6.26410258 -0.07393186 -0.25227272 0.06268466 Sr 9.38474669 3.10673218 6.32444239 0.08231862 0.35560920 -0.03364036 Sr 9.35858629 0.02376450 9.36377325 0.10039416 -0.22836666 0.09702297 Sr 6.29148264 3.10042375 9.43384995 -0.02484095 0.34845903 -0.05928102 Sr 12.60846631 0.06051394 6.31486966 -0.08567515 -0.21380958 0.03903695 Sr 15.68469412 3.10064494 6.37858573 0.08035626 0.31905695 -0.03986277 Sr 15.65512798 0.02345169 9.46358396 0.02229627 -0.19788170 -0.03973910 Sr 12.49333672 3.18029469 9.43327082 0.01143929 0.21179602 -0.00799768 Sr 18.87937263 0.02425196 6.29027582 -0.10593627 -0.21059663 0.02254744 Sr 21.91920977 3.08818206 6.22617229 0.04538156 0.34226610 0.12254873 Sr 21.98957121 0.01484483 9.36258228 -0.03258483 -0.16209018 0.05652676 Sr 18.80431305 3.10159064 9.45534999 0.02333276 0.31151639 -0.09833849 Sr 25.06016858 0.04347833 6.24405978 -0.09994953 -0.23726931 0.04874183 Sr 28.24683565 3.11610632 6.21024898 0.18986768 0.19416655 0.10550876 Sr 28.22951181 0.04206371 9.41804435 0.16304257 -0.19918577 -0.03833717 Sr 25.15998114 3.13124875 9.44512177 -0.27713820 0.26800417 -0.07027576 Sr 0.01169587 6.19833926 6.33348227 -0.15598909 0.07097460 -0.03385400 Sr 3.08910408 9.39184802 6.32917580 0.36330718 0.03709948 -0.11726546 Sr 3.13987366 6.36456967 9.46527823 0.24557216 -0.10299924 -0.08545107 Sr 0.05486217 9.51774726 9.36999744 -0.24125916 -0.08879908 0.06533918 Sr 6.31831875 6.32947462 6.30769885 -0.10652973 -0.05753740 -0.00705940 Sr 9.40962295 9.38300156 6.24234331 0.05661575 0.05571218 0.05488285 Sr 9.34242527 6.37119326 9.36528625 0.09048137 -0.07168634 0.06425306 Sr 6.22564439 9.42735345 9.44052107 0.05623322 0.11175913 -0.01859376 Sr 12.62548699 6.26854709 6.30969530 -0.11992658 0.03040797 -0.02657135 Sr 15.73752891 9.33432696 6.23225047 -0.06705416 0.12761636 0.06796011 Sr 15.73131129 6.25961112 9.48168586 0.01263037 0.05939788 -0.05898279 Sr 12.56578431 9.34980809 9.47367695 -0.00134156 0.09358292 -0.13863916 Sr 18.87113318 6.32440020 6.28773861 -0.02187627 -0.06092294 0.04179286 Sr 21.99056793 9.45965540 6.30198425 -0.12609679 -0.03630222 -0.08571309 Sr 21.99202006 6.26653245 9.34991912 -0.09388601 0.00372330 0.06308092 Sr 18.84023529 9.39559850 9.37740694 -0.04659665 0.06552017 0.10884905 Sr 25.04146369 6.27985704 6.29344139 -0.16620691 -0.00764845 -0.07053381 Sr 28.17607064 9.42772571 6.24056411 0.18056954 -0.02846547 0.06025703 Sr 28.24884746 6.28317755 9.37867511 0.11435892 0.02622898 0.03467052 Sr 25.05267011 9.46107880 9.38839542 -0.14214713 -0.08078276 0.09731142 Sr 0.03657435 12.59437575 6.28176122 -0.22852960 -0.02594160 -0.05820223 Sr 3.09258066 15.63388596 6.32159481 0.33203718 0.06689717 -0.11347737 Sr 3.09169217 12.58829917 9.38405217 0.37483648 -0.09590370 0.09893579 Sr 0.02114666 15.66280301 9.39221163 -0.23032849 0.07791980 0.08049398 Sr 6.31606360 12.58345226 6.30482983 -0.07797349 -0.15486343 -0.05770307 Sr 9.43036445 15.67667579 6.27656320 0.07340137 0.06258120 0.07221325 Sr 9.38284808 12.58228410 9.39178373 0.07307496 -0.08065586 -0.00435140 Sr 6.26077215 15.60596205 9.36726736 0.09531334 0.13927342 0.12880745 Sr 12.57655023 12.51724356 6.25741507 -0.03792465 -0.09758687 0.08876285 Sr 15.57631349 15.63582254 6.26111734 0.12087138 0.13324381 0.13816911 Sr 15.64262401 12.49497794 9.39994053 0.10902278 0.03865703 0.06466615 Sr 12.55589630 15.64038466 9.47056712 0.00645698 0.08369424 -0.10584708 Sr 18.77356392 12.60591748 6.22803025 0.04004006 -0.07466729 0.08200233 Sr 21.95931217 15.74525051 6.30727631 0.06786986 -0.06366682 -0.07553411 Sr 21.91349557 12.56640342 9.38935830 -0.04864568 0.04305478 0.05944157 Sr 18.82319802 15.74464348 9.35323667 -0.09465333 -0.08256077 0.02834789 Sr 25.09820048 12.48713538 6.32597353 -0.22298894 0.17468437 -0.08281803 Sr 28.18606303 15.73268734 6.31675906 0.15295694 -0.07324295 -0.02710822 Sr 28.23719367 12.58690733 9.40165141 0.20422742 -0.07282606 -0.05285777 Sr 25.12284767 15.65909752 9.45172749 -0.31916727 0.08117993 -0.02927483 Sr 0.04464522 18.76695853 6.28675144 -0.19599928 0.03456366 0.00792060 Sr 3.11895810 21.93009152 6.23996693 0.21705088 -0.02163816 0.09849650 Sr 3.19251556 18.79428736 9.43881585 0.22377569 0.01637867 -0.01371260 Sr 0.03619468 21.91393348 9.41072133 -0.16877565 -0.01802690 -0.02689565 Sr 6.26524211 18.78130511 6.24862810 0.06755618 0.03974314 0.07670331 Sr 9.41704202 22.00902430 6.34294335 -0.04391195 -0.05523181 -0.06908440 Sr 9.44794230 18.84334163 9.43320203 -0.11464675 -0.06148640 -0.05110903 Sr 6.21349454 22.00752092 9.38264154 0.10206500 -0.09917915 0.03545148 Sr 12.50605263 18.88548294 6.24573096 0.06345749 -0.08994964 0.19254859 Sr 15.71899778 21.89704162 6.25949072 -0.09975092 0.10822087 0.07588079 Sr 15.73639317 18.86822827 9.44396957 -0.13887085 -0.06802366 -0.08266973 Sr 12.49994473 21.99424643 9.49595537 0.16380135 -0.06524492 -0.06905741 Sr 18.86963586 18.86695563 6.22036267 -0.09520500 -0.08078937 0.07940618 Sr 22.00635867 21.93121942 6.29896641 -0.09874808 0.04021101 0.02221542 Sr 21.99583973 18.86288538 9.36073454 -0.04486332 -0.00293824 0.13482019 Sr 18.76996907 21.99355632 9.41951928 0.07838433 -0.05307171 -0.00388919 Sr 25.13653124 18.91271769 6.26716483 -0.29240499 -0.16253288 0.03708355 Sr 28.26519354 21.93901902 6.22347715 0.18783435 0.05410651 0.07578133 Sr 28.19849884 18.87823562 9.39534276 0.15196540 -0.01757652 0.06898414 Sr 25.08165451 22.01775309 9.39577721 -0.21875540 -0.05454784 0.05719824 Sr 0.00891268 25.08279654 6.26753598 -0.19809610 -0.12054165 0.07944130 Sr 3.14739929 28.25710278 6.28965877 0.15215392 0.17171067 0.07216787 Sr 3.12870157 25.09699755 9.44613541 0.23653706 -0.17292625 -0.11255925 Sr 0.03836201 28.29224865 9.47352335 -0.17308142 0.14197263 -0.06746341 Sr 6.23199643 25.06171803 6.25950274 0.08382673 -0.13446149 0.08760107 Sr 9.43278890 28.29637688 6.26741884 -0.06546238 0.11312093 0.01095919 Sr 9.45621079 25.06748588 9.39168985 -0.11325456 -0.15063200 0.02696953 Sr 6.31993293 28.25771179 9.45476831 -0.02324491 0.11234459 -0.10151443 Sr 12.60088351 25.15006068 6.32516162 0.02829628 -0.35009013 -0.07065316 Sr 15.71564049 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