500 Lattice="31.51811514830078 0.0 0.0 0.0 31.51811514830078 0.0 0.0 0.0 31.51811514830078" Properties=species:S:1:pos:R:3:forces:R:3 energy=-586.3539367537927 stress="-0.0002715621410283525 -1.807375328536172e-05 2.5512324437832295e-05 -1.807375328536172e-05 -0.0002716744383377298 1.772792355811297e-05 2.5512324437832295e-05 1.772792355811297e-05 -0.00025343649393655616" free_energy=-586.3539367537927 pbc="F F F" Sr 0.03356657 0.00180603 0.02070640 -0.13979348 -0.12263127 -0.10069435 Sr 3.11940606 3.09713800 0.04108140 0.21448206 0.22024303 -0.30066091 Sr 3.20144792 0.02273586 3.09899316 0.11169425 -0.25804645 0.24541801 Sr 0.06221239 3.20532280 3.12608444 -0.31223931 0.03910496 0.21804787 Sr 6.34687904 0.01574702 0.03167638 0.00237750 -0.13341135 -0.21559880 Sr 9.56042610 3.15860808 0.04609984 0.00011739 0.15874250 -0.23048649 Sr 9.40922849 0.02993497 3.09848054 0.06247520 -0.18467885 0.23647175 Sr 6.30977356 3.21370412 3.10605708 0.04950757 0.09041149 0.29489187 Sr 12.70875694 0.04045225 0.02098127 -0.05174572 -0.19204442 -0.12200989 Sr 15.71763227 3.14836746 0.02177823 0.05643325 0.17396528 -0.17805770 Sr 15.78377539 0.00908057 3.20918875 0.02725670 -0.15676130 0.09982296 Sr 12.64924427 3.20601973 3.19034463 -0.04666250 0.16009705 0.18085499 Sr 18.92190973 0.03833145 0.01198761 -0.03529453 -0.16584986 -0.17076734 Sr 22.09554270 3.12257562 0.05209989 -0.02680253 0.21652461 -0.27837304 Sr 22.08594378 0.01908494 3.10541068 -0.01311787 -0.23679384 0.25094959 Sr 18.94680170 3.11705059 3.13468501 -0.08425975 0.28954912 0.28000143 Sr 25.15910075 0.00696851 0.01590888 -0.03886061 -0.19454970 -0.19309237 Sr 28.33018714 3.13992973 0.05017946 0.16613560 0.10666315 -0.21733977 Sr 28.39089035 0.01673379 3.10764599 0.12695045 -0.15429913 0.15812488 Sr 25.15572810 3.19665988 3.13881973 -0.08232726 0.12834857 0.21771292 Sr 0.00319877 6.25156832 0.01788693 -0.12417072 0.07298902 -0.17334159 Sr 3.17782885 9.46656548 0.03057488 0.13635633 -0.05753373 -0.18315347 Sr 3.14061634 6.26343190 3.21028141 0.21358760 0.10891845 0.05457431 Sr 0.01582339 9.46422912 3.11417786 -0.19233390 -0.00862162 0.12694853 Sr 6.36323911 6.25362981 0.01074637 -0.08968455 0.02664351 -0.19733147 Sr 9.36301734 9.47370527 0.00450911 0.08301646 0.02423128 -0.13978972 Sr 9.44024761 6.31409632 3.12600173 0.11586800 0.04586021 0.29504573 Sr 6.26235395 9.40565906 3.16197406 0.02917287 0.09071140 0.25173792 Sr 12.68442799 6.38582947 0.03056940 -0.09001285 0.00431052 -0.15307736 Sr 15.77401629 9.45746661 0.05023183 0.06295557 0.02844747 -0.18458702 Sr 15.74010492 6.28656264 3.19980574 0.09572461 0.05190363 0.19415354 Sr 12.65097633 9.53557833 3.15051618 -0.06619882 -0.09626270 0.25291089 Sr 18.92499203 6.21526189 0.00514606 -0.04502661 0.05190121 -0.16021575 Sr 22.01399286 9.44119129 0.04740950 0.00942890 0.02841088 -0.22564275 Sr 22.07598208 6.31447180 3.11684014 -0.08665608 0.04574418 0.30483338 Sr 18.92566253 9.41617715 3.09789251 -0.03800422 0.00788190 0.32263117 Sr 25.24108444 6.33978101 0.00074884 -0.20056839 -0.04330900 -0.25081127 Sr 28.31329539 9.44323282 0.03980274 0.24009034 -0.01174349 -0.23530461 Sr 28.40084500 6.30175502 3.09358423 0.19190476 -0.00435322 0.22277817 Sr 25.22887038 9.39647743 3.09938171 -0.23602915 0.05011042 0.38180046 Sr 0.06171601 12.66470571 0.00981133 -0.13672606 -0.00834864 -0.15417083 Sr 3.16765515 15.84320576 0.01861139 0.09554851 -0.03893081 -0.19331764 Sr 3.15360909 12.62884081 3.20566631 0.26994699 -0.02100037 0.16953795 Sr 0.05002456 15.73259561 3.20143471 -0.19869773 0.06158643 0.12700374 Sr 6.25061667 12.66740125 0.04119137 0.05018034 -0.02221553 -0.13174029 Sr 9.41352813 15.79932405 0.05442821 0.06256345 -0.05430015 -0.13376310 Sr 9.46178345 12.55806599 3.19334862 -0.08672619 0.03738420 0.22713442 Sr 6.25693320 15.81574319 3.13842733 0.06726014 -0.10258429 0.26974663 Sr 12.61176370 12.64632605 0.02641737 -0.07520146 -0.08049526 -0.18617561 Sr 15.70308559 15.68332782 0.04029394 0.11754411 0.11236286 -0.21707063 Sr 15.84735822 12.64347951 3.10509140 -0.02727741 -0.09320405 0.31369742 Sr 12.64647930 15.71303855 3.13201305 -0.13112406 0.04066434 0.26048380 Sr 18.94598609 12.69207182 0.05408942 0.02962605 -0.05762991 -0.20417483 Sr 22.11309287 15.79348996 0.00877706 -0.00205955 -0.05957881 -0.14913682 Sr 22.10814059 12.56486558 3.17431133 -0.03561580 0.04233536 0.22208309 Sr 18.97011520 15.74729152 3.17040382 -0.05238972 0.02938836 0.23488094 Sr 25.27397717 12.56066536 0.00748842 -0.21884774 0.06782374 -0.17963833 Sr 28.30946118 15.85368511 0.01494738 0.15580261 -0.05618604 -0.14326401 Sr 28.40882778 12.51068320 3.14373588 0.16519474 0.07677608 0.17545637 Sr 25.22144568 15.79522224 3.14530233 -0.24456553 -0.07182266 0.21313040 Sr 0.02044839 18.94517506 0.04445131 -0.18855757 -0.06442222 -0.17018026 Sr 3.19729049 21.97281728 0.02012514 0.14624744 0.07921739 -0.20084133 Sr 3.14870928 18.94371856 3.18644224 0.26639349 -0.03926267 0.19251019 Sr 0.04010755 22.00563249 3.13033733 -0.23248330 0.08776622 0.14113460 Sr 6.30922611 18.87450495 0.01733329 0.04031095 0.10177129 -0.17456726 Sr 9.50946764 22.08527827 0.00575117 -0.05804185 -0.04190469 -0.16667734 Sr 9.39537733 18.97025735 3.14180085 0.14677211 -0.06243991 0.21363822 Sr 6.37420536 22.07853279 3.20213227 -0.04992902 -0.03140832 0.15569197 Sr 12.65004916 18.89017955 0.03481164 -0.06792375 0.01785671 -0.14464333 Sr 15.81758233 22.00615154 0.00554042 -0.08004736 0.05851130 -0.17676474 Sr 15.76704510 18.88988524 3.09445509 0.04293412 0.01554327 0.34884557 Sr 12.60950312 22.14216065 3.12823154 0.06659499 -0.10251288 0.23554126 Sr 18.96365749 18.91243668 0.04692025 -0.05982494 -0.05740788 -0.19056756 Sr 22.08750489 22.03946265 0.02637146 -0.07907738 0.06713690 -0.17329500 Sr 22.03101236 18.94853410 3.12215469 0.00186064 -0.04077260 0.28578602 Sr 18.85678819 22.06769877 3.19299373 0.06133996 -0.05277959 0.24049063 Sr 25.17394369 18.97476267 0.01537870 -0.09988563 -0.01853023 -0.19457904 Sr 28.31465109 22.09070794 0.01769479 0.15633851 -0.06248500 -0.15111657 Sr 28.30659291 18.88833363 3.20586408 0.21668767 0.08635779 0.11503515 Sr 25.15659356 22.07779617 3.17798384 -0.12997204 -0.05865929 0.18222764 Sr 0.00275120 25.26902755 0.00780030 -0.12270937 -0.14222397 -0.14116470 Sr 3.20488461 28.40656180 0.03204336 0.08329387 0.15855577 -0.15338598 Sr 3.17376480 25.17448528 3.13945415 0.16998755 -0.11471820 0.19376275 Sr 0.04605162 28.39392885 3.20894729 -0.13538608 0.17485614 0.08487345 Sr 6.28954376 25.21311408 0.03369122 0.03903495 -0.16336749 -0.18696001 Sr 9.44995413 28.35575833 0.02675690 -0.02026240 0.18127285 -0.16905101 Sr 9.46709748 25.26098817 3.16708452 -0.02463807 -0.20648035 0.19346054 Sr 6.34476047 28.42358126 3.16915974 -0.04021801 0.17181002 0.15132128 Sr 12.55617090 25.27623161 0.01723428 0.11213702 -0.20469141 -0.20915285 Sr 15.71472972 28.42242312 0.02307843 0.03302367 0.11227880 -0.19038791 Sr 15.81797732 25.21173320 3.14230483 -0.14368797 -0.20650911 0.21093871 Sr 12.64701588 28.38136723 3.13123331 -0.01316311 0.17017164 0.22378227 Sr 18.90871021 25.18407880 0.03869970 0.03197651 -0.10523087 -0.20148096 Sr 22.04564553 28.37922457 0.02203955 -0.06252051 0.13060095 -0.13649872 Sr 22.09413772 25.20131632 3.18369227 -0.11489849 -0.19022028 0.13592234 Sr 18.80352022 28.37322191 3.14851310 0.12503997 0.21386370 0.10620529 Sr 25.19959506 25.24503689 0.04021525 -0.16374629 -0.15391060 -0.27493396 Sr 28.42037892 28.30991121 0.03354277 0.10007785 0.11155347 -0.10175369 Sr 28.31961312 25.16876097 3.11356733 0.22888460 -0.08229014 0.19537802 Sr 25.17616170 28.38272733 3.11245960 -0.08611950 0.22698013 0.19500701 Sr 0.02107398 0.00730479 6.36226452 -0.14828413 -0.17148727 -0.09327175 Sr 3.11236361 3.14027759 6.27134285 0.23343098 0.17212742 0.05686413 Sr 3.17041980 0.00342516 9.44176719 0.15478173 -0.19638176 0.07055930 Sr 0.00206507 3.11174363 9.42076536 -0.14940877 0.29398651 0.06955989 Sr 6.28128321 0.00170785 6.36522569 0.05502642 -0.13243345 -0.09390670 Sr 9.52138597 3.10755012 6.33118834 -0.07642979 0.30600030 -0.05984348 Sr 9.51381229 0.05658963 9.41034541 -0.06446525 -0.17703407 0.03131073 Sr 6.25742225 3.14082821 9.40643434 0.07155724 0.22695566 0.04098115 Sr 12.66873931 0.01214038 6.21807507 -0.05986799 -0.17725579 0.06560280 Sr 15.72800105 3.19921976 6.39434134 0.11398853 0.12770073 -0.06716323 Sr 15.72034299 0.04786601 9.46231971 0.05761500 -0.18980975 -0.03451813 Sr 12.60225015 3.13136444 9.48560106 -0.03088885 0.32657003 0.01006522 Sr 18.94828551 0.00639803 6.24800687 -0.03163632 -0.12965691 0.09228792 Sr 22.04636174 3.20661239 6.30059108 -0.02691995 0.18419851 0.05452366 Sr 22.08020738 0.04335796 9.41092259 -0.06379916 -0.17907019 0.03481807 Sr 18.93838508 3.10200047 9.49732213 -0.09008967 0.24338239 -0.05403988 Sr 25.23364143 0.03321996 6.32344512 -0.14459137 -0.18613804 -0.03896115 Sr 28.30928552 3.19480745 6.31213197 0.22358906 0.08825217 -0.02645393 Sr 28.38600021 0.00984397 9.51274526 0.17495235 -0.15587143 -0.05994909 Sr 25.24465040 3.11325590 9.49214974 -0.25937748 0.30744703 -0.02202220 Sr 0.04417931 6.36570504 6.29404948 -0.23536100 -0.03371434 0.05920657 Sr 3.10230563 9.43673142 6.31266985 0.31401104 0.05362500 -0.05048641 Sr 3.16926622 6.36402855 9.40252517 0.15577973 -0.09073819 0.11934469 Sr 0.05020476 9.53438280 9.44517618 -0.22391671 -0.07449579 -0.00880426 Sr 6.24731305 6.25583447 6.25646424 0.10909938 0.02022364 0.09504150 Sr 9.37880333 9.34658693 6.36234844 0.08350145 0.10543926 -0.05836546 Sr 9.42189480 6.28344473 9.45848308 0.04362686 0.00970620 0.00432600 Sr 6.25099867 9.46877408 9.41432670 0.13493438 -0.08257662 0.08410148 Sr 12.66729505 6.31381770 6.34187176 -0.12891721 0.04279024 -0.02974340 Sr 15.76475638 9.46547130 6.34070752 0.01200253 -0.02891602 -0.10887249 Sr 15.78239964 6.29013077 9.43281028 0.00578584 0.00062829 0.13105831 Sr 12.62196243 9.40754020 9.40426867 -0.02054502 0.07407711 0.10406839 Sr 18.88201577 6.32282180 6.36401787 0.06490611 -0.01326657 -0.08486003 Sr 22.02028991 9.50125030 6.36600440 0.04138311 -0.07990732 -0.06866539 Sr 21.99749293 6.33303096 9.51819198 0.03903418 -0.02206355 -0.14667564 Sr 18.85734252 9.44644973 9.44123870 0.04656374 -0.03997308 0.07803951 Sr 25.19378202 6.25330954 6.28909193 -0.24649828 0.11029257 0.06608918 Sr 28.37205164 9.34720463 6.36028865 0.10951289 0.09444654 -0.02151909 Sr 28.38372988 6.28201776 9.44548857 0.11939035 0.02389247 0.09499917 Sr 25.16231456 9.42121283 9.42530654 -0.11987133 0.06042763 0.01905771 Sr 0.05441905 12.58189400 6.27112499 -0.17771628 0.06125329 0.08269302 Sr 3.20680616 15.79806273 6.32692050 0.16099282 -0.04979482 0.06318834 Sr 3.20562436 12.56673717 9.44499832 0.13382296 0.17893137 -0.01353707 Sr 0.02544022 15.76405405 9.49155501 -0.12256186 -0.05446120 -0.08540566 Sr 6.29603886 12.63046852 6.41026975 0.08134635 -0.00595167 -0.11439017 Sr 9.39350344 15.79790088 6.25772100 0.12081010 -0.11486489 0.04999301 Sr 9.50431904 12.56332254 9.51167116 -0.00178861 0.03944234 -0.05978342 Sr 6.36572442 15.80833038 9.53206033 -0.02767739 -0.07302571 -0.00757027 Sr 12.66081019 12.57719936 6.27760835 -0.12746049 0.04357980 0.09689921 Sr 15.71878755 15.69490990 6.27798290 0.10061083 0.06047085 0.08588317 Sr 15.78593217 12.54520492 9.42115756 -0.14437702 0.11397359 0.11727675 Sr 12.55043171 15.80018927 9.50918195 0.07540902 -0.11664323 -0.11115642 Sr 18.87522405 12.53445697 6.35339801 0.06124687 0.08114028 -0.09674409 Sr 22.00096850 15.79098928 6.28292303 0.09459021 -0.06544338 0.06306933 Sr 22.02707851 12.61250542 9.49629592 0.06028139 0.01510212 -0.04951627 Sr 18.94975032 15.68822247 9.44892696 -0.08816731 0.09335699 0.02880694 Sr 25.25975418 12.64426798 6.30447135 -0.26643541 -0.06263052 0.04389547 Sr 28.34988638 15.71644856 6.27786786 0.14791986 0.02512999 0.05143002 Sr 28.36438405 12.64653315 9.50505038 0.13059698 -0.05027181 -0.09315792 Sr 25.18665407 15.78812078 9.51640908 -0.22852137 -0.02223901 -0.13582256 Sr 0.04748279 18.95771726 6.28803982 -0.19978946 -0.09351296 0.04562180 Sr 3.16174386 22.03654576 6.27882574 0.28601999 0.04307837 0.10687863 Sr 3.15860101 18.86950427 9.44250287 0.25363290 0.05189480 0.02606497 Sr 0.04550320 22.02201136 9.42229272 -0.14138775 0.02828368 0.05551957 Sr 6.34849536 18.86544440 6.32193237 -0.02537076 0.11626137 0.03124076 Sr 9.51114346 22.08966934 6.24124056 -0.06662201 -0.09189341 0.14667948 Sr 9.42945048 18.85123306 9.47022716 0.03924201 0.11682625 -0.04718129 Sr 6.32601082 22.00179861 9.48469378 0.02765408 0.04170501 -0.11498994 Sr 12.65977851 18.83240915 6.24565568 -0.05961296 0.09517518 0.06202904 Sr 15.70440493 22.12383623 6.36498976 0.03493092 -0.12563941 -0.07005682 Sr 15.80441487 18.85195388 9.46929745 -0.06770341 0.02006261 -0.02228668 Sr 12.55780583 22.04705464 9.42122776 0.08378108 -0.12235163 0.04744614 Sr 18.93899931 18.89591432 6.35847367 -0.11534660 -0.00002151 -0.02936316 Sr 22.04600873 21.98412846 6.30974518 -0.02960226 0.06271001 0.07694175 Sr 22.11983553 18.91139401 9.49102740 -0.13297876 -0.00893343 -0.09506407 Sr 18.85930632 22.08095369 9.40516683 0.07068385 -0.03558843 0.00169478 Sr 25.20247153 18.94674146 6.29427436 -0.18577675 -0.05798982 0.08363081 Sr 28.37238251 22.12530558 6.27661793 0.14981055 -0.11096836 0.04120162 Sr 28.40761360 18.85204476 9.45780752 0.12347583 0.06931910 -0.07490551 Sr 25.27172613 22.03673780 9.50536375 -0.26053217 0.01800022 -0.11690457 Sr 0.00014442 25.21255524 6.24231280 -0.14473414 -0.16068790 0.07795168 Sr 3.18925134 28.40630765 6.39183615 0.11343419 0.15590672 -0.06417436 Sr 3.13867029 25.23115465 9.51412581 0.23166153 -0.26566279 -0.12297915 Sr 0.00835539 28.36427243 9.45090485 -0.17870670 0.15016971 -0.02505456 Sr 6.27345398 25.27368319 6.29516124 0.06899938 -0.28084579 0.11798963 Sr 9.47705960 28.36715988 6.28959130 -0.01384601 0.16533436 0.07634264 Sr 9.50765011 25.18922268 9.46827092 -0.16990746 -0.17821582 -0.03954630 Sr 6.28109284 28.41239243 9.50405439 0.11828631 0.09860681 -0.03179043 Sr 12.56430843 25.22579953 6.36703972 0.10149622 -0.14982030 -0.08219152 Sr 15.78398088 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