500 Lattice="31.39552980184908 0.0 0.0 0.0 31.39552980184908 0.0 0.0 0.0 31.39552980184908" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-616.1526465342145 pbc="F F F" Sr -0.03435023 -0.05400665 -0.00060267 38 -0.09469861 -0.07416209 -0.07463662 Sr 3.12779359 3.09014087 0.04195413 38 0.13072156 0.16754889 -0.29432909 Sr 3.14737043 0.01271358 3.09619031 38 0.12273122 -0.25937927 0.20130150 Sr -0.01912267 3.16973424 3.15362209 38 -0.25927442 0.08127939 0.13658138 Sr 6.26566156 -0.02052111 0.05077238 38 0.03164498 -0.20517224 -0.21273240 Sr 9.37817043 3.10315282 0.02170271 38 -0.00476010 0.21467884 -0.22352179 Sr 9.44655896 0.02620117 3.11062349 38 -0.03450731 -0.20278989 0.24003373 Sr 6.27388786 3.12029662 3.08210880 38 0.07255789 0.23266464 0.29921039 Sr 12.56645497 0.01789368 -0.00003660 38 0.01107729 -0.17968226 -0.19394449 Sr 15.74851474 3.11470450 0.02401053 38 -0.02726278 0.19752143 -0.25381960 Sr 15.74762919 0.02853412 3.09661296 38 -0.07708874 -0.21202475 0.23557793 Sr 12.61722511 3.09985621 3.08102760 38 -0.07978874 0.26206146 0.37248339 Sr 18.80260172 -0.02580337 -0.02060798 38 0.05767978 -0.15716189 -0.16155386 Sr 21.93318329 3.17795892 -0.05824321 38 0.03160459 0.07957049 -0.20483977 Sr 21.99682982 0.06152169 3.09267724 38 -0.05333112 -0.23730048 0.19670985 Sr 18.88308051 3.15626937 3.12168122 38 -0.01435074 0.20992443 0.25743887 Sr 25.13207191 -0.04225563 0.04150605 38 -0.08039451 -0.10694918 -0.16306134 Sr 28.29935558 3.16375320 -0.05810768 38 0.11771770 0.04696526 -0.07523679 Sr 28.23418073 -0.04270274 3.25781889 38 0.16232899 -0.15512049 -0.01752799 Sr 25.05548818 3.17315087 3.19554148 38 -0.04824104 0.14877927 0.10366296 Sr 0.05377580 6.24475930 0.04729233 38 -0.19370061 0.04664325 -0.18169863 Sr 3.09199574 9.41026081 0.03092786 38 0.18064438 0.04467641 -0.17451111 Sr 3.13226411 6.24497605 3.15351913 38 0.21693054 0.07850979 0.18043198 Sr -0.01377744 9.46195865 3.17996643 38 -0.19998701 -0.08463543 0.11310680 Sr 6.22677230 6.32519250 -0.03610620 38 0.06452365 -0.01175625 -0.13903502 Sr 9.38263860 9.47999361 0.05584585 38 0.06267281 -0.07918711 -0.22041728 Sr 9.39610243 6.32772726 3.15138611 38 0.01201089 -0.08423047 0.18771561 Sr 6.26292629 9.42025206 3.15975533 38 -0.00971736 -0.03493327 0.16994640 Sr 12.50924969 6.19558147 0.03291453 38 0.04066385 0.09255896 -0.17841556 Sr 15.76106960 9.32908764 -0.04584062 38 -0.08266488 0.04384219 -0.08246221 Sr 15.75744419 6.23227323 3.18734309 38 -0.10517031 0.09257249 0.16909827 Sr 12.53317982 9.36032823 3.11088436 38 0.13146526 -0.00106442 0.25436583 Sr 18.82287395 6.23242098 -0.03901621 38 0.06239597 0.07948854 -0.14463885 Sr 22.03841474 9.41833712 0.04253945 38 -0.07629212 -0.08425097 -0.16944075 Sr 22.01410149 6.24273755 3.17044880 38 -0.11384494 0.08951559 0.22391477 Sr 18.87642627 9.36624541 3.12136537 38 -0.03416650 0.05808140 0.25279519 Sr 25.10249424 6.23530704 0.00751020 38 -0.10547236 0.05824293 -0.21745132 Sr 28.25067786 9.51913823 0.06005975 38 0.16283998 -0.06753498 -0.22001105 Sr 28.25255958 6.32785473 3.10641038 38 0.21568917 -0.08316552 0.15922319 Sr 25.16790065 9.36163887 3.16762317 38 -0.29989727 0.10260682 0.21510645 Sr 0.01091559 12.56572992 -0.02554095 38 -0.13013139 0.02473065 -0.12201194 Sr 3.15855303 15.74115097 -0.03452246 38 0.13040872 -0.09634704 -0.18807238 Sr 3.13140804 12.55813820 3.20108330 38 0.23904326 0.02701127 0.09615343 Sr 0.04678886 15.72234442 3.13573221 38 -0.24968653 -0.07379139 0.09659958 Sr 6.30372032 12.52513229 -0.01667731 38 -0.07399372 0.06281704 -0.12581855 Sr 9.45889799 15.66225111 -0.05578021 38 -0.03114662 -0.00723438 -0.08549069 Sr 9.36242178 12.49943975 3.16721454 38 0.08903765 0.18013692 0.18961427 Sr 6.22318938 15.73790700 3.13252045 38 0.14025048 -0.11123934 0.22979839 Sr 12.62126385 12.54601587 0.03124668 38 -0.03247346 -0.01319034 -0.14002613 Sr 15.72661266 15.71711873 0.00615910 38 0.00519804 -0.05466341 -0.16187052 Sr 15.66874454 12.62053578 3.13247713 38 0.11850735 -0.12641772 0.21547312 Sr 12.55926956 15.75681018 3.14604011 38 -0.04821789 -0.12081817 0.22173502 Sr 18.87697978 12.50415438 -0.00889986 38 -0.05376764 0.04859096 -0.12369762 Sr 22.02348792 15.66563361 0.03378311 38 -0.10045481 0.05361924 -0.24433737 Sr 22.00508985 12.57257169 3.09891661 38 -0.08059703 -0.07895450 0.35209679 Sr 18.90924037 15.74858118 3.13386961 38 -0.03914101 -0.11988689 0.23273998 Sr 25.07712462 12.50532563 0.00803263 38 -0.08795051 0.01646442 -0.20038951 Sr 28.22236430 15.60477090 0.01873841 38 0.15702254 0.04375474 -0.10847355 Sr 28.30459975 12.50489559 3.19401070 38 0.15567832 0.09006246 0.15885607 Sr 25.05824540 15.66064490 3.09362664 38 -0.02772066 0.06959843 0.30601091 Sr -0.00434131 18.81865033 -0.00188710 38 -0.16073517 0.03703592 -0.13125833 Sr 3.10410217 21.97848811 0.02648889 38 0.19089428 -0.06212880 -0.18484114 Sr 3.12271945 18.80091024 3.16571520 38 0.22855523 0.10244066 0.11180720 Sr 0.02619974 22.00796227 3.20173246 38 -0.25126871 -0.08980618 0.09675595 Sr 6.26058652 18.80103844 0.01075127 38 0.06690349 0.08320517 -0.13792604 Sr 9.40780261 21.97065624 -0.00808049 38 0.04642384 -0.08212708 -0.10080812 Sr 9.40527843 18.78148643 3.17567386 38 -0.03857713 0.09274002 0.15492895 Sr 6.29190679 22.02652608 3.18957885 38 0.03882404 -0.16860606 0.16100278 Sr 12.59032395 18.80522241 0.00322652 38 -0.02103643 0.07499455 -0.14421638 Sr 15.80533005 21.94013343 -0.01583299 38 -0.07786589 -0.02036801 -0.13450413 Sr 15.70732941 18.78674950 3.18579834 38 0.01319815 0.09279603 0.19104341 Sr 12.60262650 21.94396340 3.17600164 38 -0.07752615 0.02051172 0.13176033 Sr 18.80075744 18.78855615 0.01764827 38 0.10097066 0.03766275 -0.13937343 Sr 21.98145674 21.92783559 0.03980105 38 -0.05970036 -0.00120059 -0.19092416 Sr 22.00889287 18.82198669 3.18597762 38 -0.05177428 0.05183284 0.22943189 Sr 18.83689739 22.02063796 3.17956845 38 -0.04704064 -0.15341843 0.17990146 Sr 25.12514917 18.80695939 -0.00556681 38 -0.08542366 0.02894484 -0.17688125 Sr 28.29084123 22.03128178 -0.02311372 38 0.14111170 -0.09680787 -0.13273702 Sr 28.27511536 18.88817941 3.22529473 38 0.13259656 -0.09907684 -0.00163058 Sr 25.07469586 21.98247438 3.09951432 38 -0.14621343 -0.05013373 0.29387029 Sr 0.03469429 25.15046106 0.05470200 38 -0.22237488 -0.13352876 -0.21601148 Sr 3.12922424 28.28310073 -0.05967189 38 0.15850778 0.14316188 -0.13170091 Sr 3.10461843 25.11208257 3.14469829 38 0.29536739 -0.10577171 0.17044227 Sr 0.00097478 28.26418515 3.14768746 38 -0.15116766 0.22469378 0.10926563 Sr 6.29954585 25.05948638 0.03739608 38 -0.08347391 -0.09591133 -0.22219685 Sr 9.36102252 28.19488995 0.01226102 38 0.04533281 0.17870487 -0.19134707 Sr 9.35609804 25.14704823 3.12407153 38 0.18613453 -0.24542707 0.26796432 Sr 6.28479173 28.30641718 3.15883724 38 -0.06054852 0.20158658 0.13740455 Sr 12.59195921 25.08002087 -0.00985237 38 -0.04331484 -0.17377766 -0.18798304 Sr 15.72672280 28.22088710 -0.00675587 38 -0.01198011 0.17851877 -0.17242811 Sr 15.68010703 25.10109401 3.07927927 38 0.04236700 -0.20167304 0.29051597 Sr 12.55890091 28.24002035 3.10732734 38 -0.05332910 0.17659812 0.16320264 Sr 18.88236175 25.13969550 -0.03346990 38 0.03297165 -0.14845604 -0.17793702 Sr 22.06551967 28.29352120 -0.05518804 38 -0.06493261 0.10299170 -0.08422304 Sr 21.92426633 25.06305409 3.19166615 38 0.05043517 -0.06125050 0.09384477 Sr 18.81456301 28.26235519 3.15648147 38 0.06907860 0.16130461 0.13052413 Sr 25.17583692 25.11824296 -0.05820596 38 -0.27996469 -0.18631014 -0.22812402 Sr 28.21899775 28.22392280 0.01383277 38 0.16235120 0.16643598 -0.15769234 Sr 28.22741901 25.13393316 3.08316983 38 0.28232810 -0.20671159 0.23643853 Sr 25.14895207 28.20951821 3.09777023 38 -0.23679950 0.26427834 0.16563431 Sr 0.03248877 -0.06102235 6.18721541 38 -0.13753971 -0.10947898 0.06741438 Sr 3.15204678 3.18395514 6.21652597 38 0.20444169 0.10753923 0.12078316 Sr 3.09426379 0.01386967 9.43502692 38 0.17377290 -0.19849882 -0.04451317 Sr 0.03656719 3.11692482 9.45220018 38 -0.24501222 0.08430172 -0.08563082 Sr 6.25050388 -0.05928607 6.32858336 38 0.02913318 -0.11066701 -0.05044811 Sr 9.37809088 3.16896598 6.32201638 38 0.03961800 0.15382515 -0.08312907 Sr 9.45217893 0.01330824 9.36835384 38 -0.04336169 -0.14846779 0.14000714 Sr 6.25464753 3.10016839 9.45186369 38 -0.00436120 0.21775391 -0.00618566 Sr 12.49647095 -0.04148207 6.30305385 38 0.13253583 -0.12939583 -0.04855433 Sr 15.67817703 3.18366535 6.34741981 38 0.02137211 0.11564414 -0.06336318 Sr 15.79870393 0.00350503 9.46258629 38 -0.09919288 -0.18793031 -0.03744176 Sr 12.60346768 3.09523421 9.36125312 38 -0.05701775 0.25069111 0.14746679 Sr 18.75732828 0.05043331 6.21751295 38 0.08387849 -0.15153105 0.06183090 Sr 22.00806676 3.09902741 6.31189312 38 -0.12170961 0.30684398 0.08669293 Sr 21.94527433 -0.03898275 9.39225054 38 -0.06461460 -0.13600516 0.02743090 Sr 18.83045926 3.11288899 9.51277848 38 0.04515091 0.27924769 -0.06547866 Sr 25.13730839 -0.00587032 6.33287777 38 -0.22167706 -0.25415456 -0.03487688 Sr 28.27623071 3.08606811 6.22028315 38 0.19710887 0.32105859 0.06670305 Sr 28.28246668 0.01373184 9.36939471 38 0.18901902 -0.16467228 0.06808616 Sr 25.16236652 3.09236117 9.37454565 38 -0.27794099 0.32535024 0.09439838 Sr -0.02716685 6.25056184 6.34367253 38 -0.16290044 0.04945002 -0.03280245 Sr 3.19346912 9.33480142 6.22111538 38 0.15745196 0.06232838 0.18926185 Sr 3.10020265 6.23821330 9.46220880 38 0.36340415 0.09315334 -0.07955159 Sr -0.01185411 9.37697922 9.42761923 38 -0.09766074 0.07759225 0.01039852 Sr 6.32934944 6.22963064 6.26398953 38 -0.03124561 0.07317645 0.10267146 Sr 9.38209487 9.43476635 6.27150627 38 0.08074664 -0.08594138 0.09974603 Sr 9.36879338 6.22493605 9.50390712 38 0.07484184 0.10092015 -0.06515072 Sr 6.33179649 9.44333246 9.40535909 38 -0.08576403 -0.06765539 0.03626989 Sr 12.52261920 6.24548923 6.34184437 38 -0.00326433 0.11526138 -0.03057415 Sr 15.74991739 9.38759550 6.33492601 38 -0.07203401 0.05606241 -0.08688899 Sr 15.72957836 6.27596395 9.43925622 38 -0.02510602 0.06025805 0.09847215 Sr 12.60401342 9.45850100 9.42557213 38 -0.12470401 -0.15031039 -0.04633139 Sr 18.78125817 6.28610155 6.31238131 38 0.15140922 -0.04590036 0.02402291 Sr 21.99353213 9.41504111 6.31893130 38 0.00341467 0.01289492 -0.07116685 Sr 21.89630360 6.31345619 9.46553531 38 0.06681030 -0.08909292 -0.06094318 Sr 18.89630676 9.46910048 9.35765249 38 -0.12776324 -0.03822562 0.12446443 Sr 25.13145986 6.36106168 6.31468606 38 -0.22802324 -0.11291806 0.06163235 Sr 28.30363983 9.38142158 6.26873815 38 0.15954564 0.03955347 0.07785344 Sr 28.20501677 6.32100244 9.48243804 38 0.24770038 -0.06228246 -0.06123310 Sr 25.16169819 9.40086559 9.43387661 38 -0.26106137 0.13767590 -0.05401935 Sr -0.02072787 12.52426004 6.24601659 38 -0.11307483 0.05116537 0.15058141 Sr 3.07689000 15.74614953 6.26005907 38 0.26771215 -0.11902304 0.15410413 Sr 3.14797234 12.55851484 9.48042484 38 0.14465114 -0.04721989 -0.13117075 Sr -0.04487125 15.75021029 9.47946576 38 -0.14451257 -0.07748940 -0.07689713 Sr 6.29691632 12.55962747 6.25707104 38 -0.04242896 0.05377892 0.07356867 Sr 9.47695209 15.69592869 6.33004188 38 -0.09790418 -0.08647152 -0.09389325 Sr 9.43453428 12.51037673 9.40139260 38 -0.02458867 0.07615854 0.02799473 Sr 6.26165519 15.67018369 9.33748981 38 0.06032981 -0.02374041 0.04560962 Sr 12.58367819 12.47251883 6.20748963 38 -0.00728444 0.07997434 0.08114686 Sr 15.73601385 15.68284550 6.27183412 38 -0.04430326 -0.06620936 0.12072764 Sr 15.65139385 12.51471181 9.47704125 38 0.09878504 0.11191722 -0.14551201 Sr 12.50145797 15.71129130 9.34072740 38 0.10779462 -0.08399251 0.06863993 Sr 18.88287271 12.54626089 6.26539434 38 -0.06778939 0.07451857 0.00382187 Sr 22.01619819 15.73016434 6.32881024 38 -0.07585111 -0.02741182 0.04142535 Sr 21.96967839 12.53003068 9.39321042 38 0.03342280 0.08249979 0.03397176 Sr 18.88785115 15.72524272 9.49311845 38 -0.04986226 -0.09954291 -0.08872201 Sr 25.13710973 12.63148061 6.25185021 38 -0.22997951 -0.10453110 0.07953893 Sr 28.30606210 15.70863610 6.31476492 38 0.15030571 0.01243985 -0.04918524 Sr 28.31520172 12.59081137 9.34809238 38 0.12115018 -0.07565722 0.05916424 Sr 25.16960034 15.72109469 9.46715979 38 -0.28312894 -0.04116600 -0.01360349 Sr -0.00295420 18.77780538 6.25605380 38 -0.17650184 0.08857165 0.10615377 Sr 3.15590554 21.93079100 6.22139784 38 0.20414008 0.01429336 0.21692262 Sr 3.19614588 18.81299476 9.49704646 38 0.14933491 0.08956193 -0.12286684 Sr -0.03479424 21.93646294 9.45586843 38 -0.11169087 -0.01440747 -0.13984433 Sr 6.24645585 18.81940700 6.27300959 38 0.11332157 0.05933463 0.07741035 Sr 9.45133553 22.04990102 6.33294802 38 -0.07162442 -0.09650473 -0.05669568 Sr 9.43159057 18.81729256 9.36452360 38 -0.04122997 0.07507027 0.03229837 Sr 6.31439736 22.03024878 9.47784383 38 -0.05380191 -0.05373769 -0.10052903 Sr 12.50297540 18.85521486 6.23463914 38 0.09997145 0.02054405 0.10753563 Sr 15.67455764 22.01116325 6.31177883 38 0.04408789 -0.08839505 0.04478507 Sr 15.63122981 18.81244268 9.40516027 38 0.02927889 0.04068128 -0.00544868 Sr 12.49922329 22.02998629 9.41514435 38 0.07695631 -0.12047818 0.09651589 Sr 18.78573392 18.78160813 6.29169954 38 0.05148650 0.07840120 0.05816383 Sr 21.90607031 21.98764139 6.31244972 38 0.11547424 -0.11164611 0.03634644 Sr 21.92909073 18.86609346 9.47294971 38 0.07955563 -0.03204990 -0.04135700 Sr 18.86864291 21.96697875 9.41009802 38 -0.11812157 -0.01217267 0.04012491 Sr 25.17797478 18.77744904 6.37765064 38 -0.35807209 0.07340166 -0.09452071 Sr 28.25955207 21.92467646 6.24622561 38 0.14551437 0.12036600 0.04665742 Sr 28.21149995 18.88953283 9.43640701 38 0.23851435 -0.02750577 0.06291453 Sr 25.13692473 22.03497781 9.36610137 38 -0.26454012 -0.09151656 -0.00717097 Sr 0.03592671 25.17018207 6.25173166 38 -0.26236283 -0.21115264 0.11575360 Sr 3.12599967 28.20033781 6.36865896 38 0.17247395 0.27746971 -0.05962095 Sr 3.07910535 25.13543828 9.40383249 38 0.34077706 -0.30690753 0.03256500 Sr 0.02158106 28.28380316 9.53236591 38 -0.20690336 0.18087767 -0.06674431 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