500 Lattice="31.372139055666857 0.0 0.0 0.0 31.372139055666857 0.0 0.0 0.0 31.372139055666857" Properties=species:S:1:pos:R:3:forces:R:3 energy=-620.4101979205245 stress="-0.0003086238601277166 -3.1100035067829287e-05 -2.1321892967690363e-05 -3.1100035067829287e-05 -0.0002879678503744935 1.0515590607606937e-05 -2.1321892967690363e-05 1.0515590607606937e-05 -0.00029515403257724185" free_energy=-620.4101979205245 pbc="F F F" Sr 0.05032433 0.01507956 0.02504319 -0.11684761 -0.11451921 -0.08445862 Sr 3.07545425 3.16826339 0.02772188 0.20252054 0.09919038 -0.26910529 Sr 3.17379919 0.05121087 3.17463317 0.08231282 -0.26815838 0.10461177 Sr 0.01278892 3.19898891 3.16995236 -0.23811156 0.10316248 0.15504721 Sr 6.22955077 0.00551766 0.00613741 0.04996500 -0.11413355 -0.16048812 Sr 9.47289354 3.16954972 0.06156309 -0.18963173 0.12811515 -0.28505916 Sr 9.44125721 0.04629133 3.10025783 -0.04770795 -0.21348111 0.21118934 Sr 6.21233192 3.15127640 3.13950130 0.14254185 0.21536194 0.16413550 Sr 12.51269104 0.03319477 0.00438348 0.08520673 -0.16535397 -0.17672821 Sr 15.77115308 3.15031518 0.00727063 -0.08912667 0.16599542 -0.22280291 Sr 15.69438562 0.02313671 3.15709434 -0.04788759 -0.21643543 0.13034506 Sr 12.50273156 3.18772729 3.07930292 0.16690465 0.17570169 0.39765853 Sr 18.85498176 0.00920134 0.05195737 0.00305143 -0.20116031 -0.18269855 Sr 21.99463795 3.11194987 0.01603903 -0.05837773 0.20649247 -0.19815087 Sr 22.00163122 0.03398158 3.14685222 -0.10921459 -0.24311459 0.15104877 Sr 18.74807483 3.10852940 3.12146343 0.09124778 0.31292458 0.28912233 Sr 25.09758346 0.00346495 0.01070033 -0.05637526 -0.17822256 -0.17801722 Sr 28.29110769 3.15119598 0.04546241 0.16169945 0.04958395 -0.20326377 Sr 28.25122947 0.00868888 3.18898707 0.18386169 -0.21795082 0.05162293 Sr 25.10817859 3.10949593 3.17576148 -0.17778584 0.29903064 0.13634891 Sr 0.03562571 6.25949573 0.02692515 -0.19884661 0.06257454 -0.18698672 Sr 3.13592744 9.43888144 0.03904319 0.17032465 -0.00705975 -0.26114581 Sr 3.16893989 6.31294740 3.11006370 0.14292600 0.01439022 0.31859221 Sr 0.01009817 9.46984016 3.07606493 -0.23418798 -0.09243416 0.26686678 Sr 6.21334545 6.26875503 0.00308201 0.13427482 0.02044472 -0.22010455 Sr 9.53147980 9.42601057 0.01882876 -0.09902635 -0.04708642 -0.23825157 Sr 9.40970464 6.26236125 3.12919631 -0.02533755 0.03794264 0.25468349 Sr 6.32694232 9.35857443 3.07471961 -0.00843275 0.02996444 0.29677724 Sr 12.51645606 6.21434915 0.04775115 0.09373760 0.08230447 -0.25928019 Sr 15.63252101 9.41990879 0.00931276 0.04663788 -0.03420423 -0.23402657 Sr 15.65407845 6.33401397 3.13761121 0.03583163 -0.09392852 0.29426210 Sr 12.54197016 9.37967301 3.08260917 -0.01778536 0.01889930 0.32968766 Sr 18.86436428 6.32751926 0.02970369 -0.05980195 -0.03777470 -0.21100581 Sr 21.92083218 9.45336958 0.00128058 0.06210234 0.01549820 -0.15746904 Sr 21.89871805 6.29692326 3.10768944 0.05226900 0.02636899 0.28337154 Sr 18.77187565 9.40719690 3.09130164 0.04967910 0.09402765 0.34332562 Sr 25.12953418 6.25462498 0.05147088 -0.23607350 0.02502306 -0.22915856 Sr 28.20529427 9.40573390 0.00737316 0.20568574 0.01107658 -0.19307988 Sr 28.23835124 6.24153025 3.08294327 0.20532100 0.06728055 0.30074541 Sr 25.13670140 9.44092217 3.09035754 -0.31501326 -0.09285426 0.26658887 Sr 0.03313387 12.54326612 0.01445223 -0.17067878 0.07303088 -0.18920495 Sr 3.16289337 15.71160634 0.05280979 0.15261255 -0.06247816 -0.22434155 Sr 3.13364766 12.53786580 3.14224943 0.25801638 0.00300405 0.19173741 Sr 0.03442694 15.69182774 3.18949805 -0.24416410 -0.04344295 0.07635093 Sr 6.30485911 12.51360102 0.04983950 0.01611262 0.06204448 -0.16432081 Sr 9.46995622 15.66174554 0.00287949 -0.11511349 0.05109077 -0.15643191 Sr 9.45018318 12.50067444 3.09461939 -0.03618241 0.07460981 0.31305040 Sr 6.26552011 15.74835262 3.19250913 0.11141184 -0.08862762 0.13415068 Sr 12.61067649 12.56812536 0.04956477 -0.05978255 -0.00409425 -0.27553601 Sr 15.72743142 15.63849996 0.06251197 -0.04214121 0.02621637 -0.20641718 Sr 15.60539630 12.53402997 3.08592566 0.15372668 0.03633660 0.37648279 Sr 12.51170180 15.65061753 3.09660283 0.03346834 0.04978499 0.36348274 Sr 18.83139864 12.58621816 0.02755053 0.02205657 -0.02024508 -0.15559120 Sr 21.99880933 15.77603849 0.05891096 0.00278181 -0.07962976 -0.22449733 Sr 21.99023114 12.57318581 3.18383117 -0.10061834 -0.05153357 0.19748836 Sr 18.90320536 15.71737237 3.11022222 -0.16183930 -0.11360362 0.39133008 Sr 25.13374086 12.55863282 0.05933903 -0.23091270 0.03058422 -0.28235812 Sr 28.22921993 15.73036050 0.02392017 0.16263437 -0.02836473 -0.16993303 Sr 28.17325514 12.54024941 3.14541566 0.30809241 0.02264185 0.11542544 Sr 25.11856032 15.64796169 3.15574338 -0.21522335 0.08922589 0.19640611 Sr 0.02412528 18.82696275 0.01735088 -0.16801404 -0.02543767 -0.15736122 Sr 3.09786913 21.97938096 0.03189767 0.17516384 -0.00147462 -0.19479742 Sr 3.12229306 18.76869184 3.18007794 0.22194357 0.10054004 0.23902157 Sr 0.01835109 21.92967149 3.16128047 -0.19857266 0.04211937 0.16957302 Sr 6.21416494 18.86690879 0.04799587 0.10880398 -0.07264886 -0.21563304 Sr 9.47413896 21.90998759 0.03635992 -0.03770431 0.02066485 -0.20200585 Sr 9.43190968 18.84169189 3.14939527 -0.00876501 -0.03758602 0.16878499 Sr 6.26582644 21.90093544 3.08401568 0.04827827 0.08780041 0.33441303 Sr 12.59862069 18.79560240 0.01847967 -0.01207226 -0.00775859 -0.20678489 Sr 15.68738078 22.00705686 0.05532567 -0.01659641 -0.06186818 -0.21480220 Sr 15.63764515 18.81044495 3.09842245 0.08016387 -0.01145302 0.38432831 Sr 12.56223698 21.96226574 3.10427863 -0.01604275 0.03872231 0.32033582 Sr 18.74477944 18.76101283 0.02838157 0.04951295 0.10889910 -0.18791059 Sr 21.96431028 21.91265417 0.03015341 -0.06477801 0.00322275 -0.16797952 Sr 21.92510420 18.78558925 3.19043236 0.09508060 0.15136060 0.18329423 Sr 18.86090603 22.00695780 3.12132543 -0.06465563 -0.17198127 0.29294204 Sr 25.11687723 18.87702378 0.02594482 -0.22589489 -0.09278608 -0.20583483 Sr 28.19118090 21.88475666 0.03984156 0.26962240 0.05656803 -0.23873994 Sr 28.20202577 18.84500500 3.09214745 0.21582284 -0.05672392 0.27152426 Sr 25.12697213 22.01220129 3.07927805 -0.30363288 -0.11647320 0.37408385 Sr 0.05534154 25.14701007 0.00006812 -0.19986351 -0.15890497 -0.19383143 Sr 3.19939416 28.23006917 0.05310219 0.09155828 0.20781985 -0.25147618 Sr 3.13073945 25.13690167 3.19573723 0.23618545 -0.28705363 0.14504082 Sr 0.03609755 28.21150334 3.08167262 -0.22327545 0.22241253 0.16932325 Sr 6.29614163 25.11292759 0.03660246 -0.03318900 -0.25464172 -0.21293582 Sr 9.33888385 28.17238658 0.03699403 0.05971305 0.25640732 -0.20078937 Sr 9.40149769 25.14854046 3.10074744 -0.02951989 -0.32384383 0.35624010 Sr 6.22749579 28.29525133 3.12113225 0.07562288 0.19834685 0.25192446 Sr 12.53013847 25.15658985 0.05614715 0.03667563 -0.19707165 -0.24066621 Sr 15.64238442 28.28136785 0.04017128 0.04041907 0.13940120 -0.13797586 Sr 15.73081864 25.09504506 3.15047554 -0.07703424 -0.17000345 0.31595146 Sr 12.53708478 28.20369028 3.19573187 0.00283318 0.23004892 0.15155954 Sr 18.79478956 25.07526187 0.05588679 0.02937287 -0.08660944 -0.24312601 Sr 21.86926716 28.22491293 0.06225455 0.05065624 0.12483442 -0.17627981 Sr 21.92089033 25.11893474 3.19772473 0.04507819 -0.20410014 0.05207136 Sr 18.82019936 28.29628373 3.19216914 -0.10833994 0.18565827 0.14217046 Sr 25.15982460 25.05250659 0.04785389 -0.23651505 -0.03708143 -0.27656454 Sr 28.27766216 28.26428586 0.02980479 0.11250272 0.09098477 -0.12294210 Sr 28.27948000 25.09766161 3.13257187 0.25198133 -0.13671653 0.18859930 Sr 25.14133467 28.27785206 3.07943916 -0.16759571 0.21078535 0.20418127 Sr 0.03684504 0.01320139 6.24030293 -0.20474972 -0.16203515 0.01725581 Sr 3.15487076 3.12195191 6.32323578 0.22281511 0.29166789 -0.01385581 Sr 3.10339492 0.00466502 9.36872865 0.25214380 -0.24794852 0.04124602 Sr 0.05809060 3.17139473 9.39660354 -0.26521461 0.11548753 0.01170078 Sr 6.30135054 0.05866055 6.21242152 0.07140149 -0.17175613 0.13959115 Sr 9.46056283 3.13646629 6.32750890 -0.08214441 0.21217832 -0.05977634 Sr 9.43482725 0.00828256 9.44906456 -0.04726162 -0.16089286 -0.06083510 Sr 6.22281716 3.18364536 9.49090657 0.09986252 0.19304075 -0.10098342 Sr 12.58595963 0.05090713 6.25941875 -0.03549787 -0.20901786 0.01570596 Sr 15.69222358 3.09687379 6.33579083 -0.03506570 0.36955227 -0.04542841 Sr 15.66955761 0.00274455 9.49329700 0.01498651 -0.13731562 0.00701134 Sr 12.50121347 3.14340037 9.35387719 0.09579188 0.24000776 0.16742422 Sr 18.84071586 0.06191227 6.33380289 -0.01862341 -0.21424147 -0.02228319 Sr 21.97181050 3.15404024 6.22265876 -0.06196349 0.29337209 0.05847401 Sr 22.03623199 0.03089073 9.32207046 -0.06659241 -0.18518386 0.08441417 Sr 18.87767869 3.15382337 9.40141036 -0.04428962 0.17628663 0.04498941 Sr 25.06029583 0.05138692 6.22562238 -0.07697471 -0.24289799 0.10284093 Sr 28.26027413 3.07824548 6.26397707 0.16030331 0.28508986 0.05050753 Sr 28.23110141 0.05511257 9.38949798 0.10282700 -0.15873566 0.06044522 Sr 25.07452757 3.18368298 9.47277717 -0.15059094 0.18167578 -0.11959229 Sr 0.05388814 6.24202428 6.33563309 -0.21230472 0.08194591 -0.10230085 Sr 3.10502291 9.36623412 6.28459545 0.30267609 0.06709335 -0.02045650 Sr 3.11164730 6.35523775 9.40783256 0.38621708 -0.04414165 0.05436603 Sr 0.02796223 9.37312112 9.42403719 -0.22495910 0.09123452 0.00741784 Sr 6.33366516 6.21405119 6.23607834 -0.04163349 0.09402235 0.10735467 Sr 9.40300841 9.40611525 6.24557916 0.01802576 0.00442501 0.01907663 Sr 9.43737596 6.26303239 9.40199657 -0.06030127 0.08292882 0.08242315 Sr 6.32476220 9.45132613 9.33113467 -0.04875554 -0.10669250 0.07188444 Sr 12.50847408 6.37359293 6.32508075 0.09518768 -0.08762953 -0.04910639 Sr 15.63122073 9.45681024 6.22655900 0.08770691 -0.08083191 0.05653968 Sr 15.72943971 6.26593904 9.42749352 -0.08351008 0.02814925 -0.01427005 Sr 12.58633893 9.44912928 9.39156802 -0.10558646 -0.09074375 0.11950127 Sr 18.85017197 6.31845595 6.32824930 -0.05060147 0.04755191 -0.04747598 Sr 22.00822556 9.46542464 6.29585647 -0.14969643 -0.06595661 -0.02372274 Sr 21.94963769 6.26335040 9.43010176 -0.05887887 0.08632973 -0.02033264 Sr 18.74408755 9.45885836 9.47182818 0.11901152 -0.04311016 -0.03204633 Sr 25.05452612 6.32677451 6.28757844 -0.13562429 -0.04859375 -0.04536294 Sr 28.20932149 9.47215366 6.25071113 0.19927233 -0.10908928 0.05785536 Sr 28.24034305 6.26756082 9.39167121 0.16914246 0.03062020 -0.03230539 Sr 25.05864715 9.35479265 9.41472609 -0.13546829 0.04366566 0.01705013 Sr 0.05527477 12.56197527 6.26997607 -0.19722897 -0.06961032 0.05612036 Sr 3.15183962 15.63229278 6.28333206 0.28939589 0.07476683 0.08268894 Sr 3.12256266 12.59948310 9.46462328 0.27030451 -0.09200726 -0.14884048 Sr 0.00372576 15.69650674 9.35470936 -0.15802978 0.04395637 0.04550045 Sr 6.25249112 12.49170402 6.16454479 0.05883583 0.06763455 0.12580150 Sr 9.41391796 15.70381967 6.25113608 -0.01878520 -0.07963808 0.11460319 Sr 9.35122507 12.48781244 9.39705659 0.10652642 0.12937868 0.05166142 Sr 6.23941498 15.67442343 9.47180058 0.11529364 0.04744055 -0.09086563 Sr 12.53313329 12.49431444 6.30784508 -0.07792492 0.08999721 -0.06105788 Sr 15.66206973 15.62936120 6.28128227 0.02135222 0.07541916 -0.10100304 Sr 15.62244095 12.51989897 9.35880756 0.06651622 0.11133007 0.12917927 Sr 12.53963128 15.69965665 9.39608718 -0.08915398 -0.06263260 0.02513013 Sr 18.80141393 12.49479726 6.36255678 0.04549949 0.09567942 -0.11130789 Sr 22.01680877 15.72876182 6.23705838 -0.11138832 -0.12366108 0.18622615 Sr 22.00811174 12.50399304 9.42892062 -0.15422388 0.10704156 -0.01933417 Sr 18.76649633 15.74845726 9.39378059 0.08391412 -0.08951556 0.03333364 Sr 25.14291636 12.49846915 6.29172241 -0.31376661 0.07884855 0.04975022 Sr 28.23448064 15.64273663 6.23409379 0.19156588 0.07763147 0.06216460 Sr 28.18842629 12.58895824 9.39898753 0.18740326 -0.03486993 0.02654059 Sr 25.12305140 15.66982436 9.41863532 -0.24978472 -0.00257417 -0.03642556 Sr 0.00794150 18.77767359 6.24558315 -0.14462064 0.06993716 0.08008218 Sr 3.16650459 22.02173970 6.29753904 0.22270087 -0.13374380 -0.04463106 Sr 3.14698570 18.86404683 9.40531285 0.20291288 -0.09096919 0.05046568 Sr 0.04269998 21.95311386 9.38790469 -0.19693885 -0.07897424 0.05884042 Sr 6.32125541 18.85624521 6.28108471 -0.04378855 -0.03934647 0.06601761 Sr 9.43428302 21.93179348 6.33377153 -0.07451926 0.05896801 -0.09616483 Sr 9.37209686 18.87929122 9.45637313 0.06693361 -0.16097508 -0.03675866 Sr 6.25394049 21.90089396 9.46618143 0.02960189 0.12204930 -0.05585762 Sr 12.47503450 18.86351434 6.25242967 0.08406186 -0.08891038 0.06601707 Sr 15.63688345 21.89742025 6.33598130 0.01189908 0.04499473 -0.06616731 Sr 15.62989013 18.75365187 9.37039940 -0.00867628 0.05221031 0.04682308 Sr 12.47183978 21.99115531 9.45647509 0.10427123 -0.16894679 -0.00443361 Sr 18.87428215 18.86909046 6.28601877 -0.08622718 -0.05031101 -0.00577786 Sr 22.00959911 22.01651089 6.27738403 -0.01531608 -0.16768914 0.06586815 Sr 22.01616924 18.81718055 9.44940743 -0.11641199 0.01375004 -0.10015817 Sr 18.77937404 21.90525315 9.38353638 0.04541005 0.06134897 0.01848503 Sr 25.13343210 18.77282900 6.32579781 -0.24935185 0.07439209 -0.05684328 Sr 28.18878577 21.90430310 6.27691422 0.15117909 0.05316044 -0.00364391 Sr 28.27353060 18.87196529 9.43130902 0.19018619 -0.07085167 -0.01685120 Sr 25.13906324 21.90496592 9.46749717 -0.24125250 0.10400670 -0.09544797 Sr 0.00871003 25.13093193 6.32669134 -0.27791812 -0.17654386 -0.05320089 Sr 3.11942582 28.21187826 6.27933685 0.20930465 0.25037874 0.02505375 Sr 3.09026900 25.08731119 9.36897268 0.33881220 -0.13775368 0.10803267 Sr 0.05467387 28.29253640 9.39445362 -0.15583686 0.16667337 0.06869978 Sr 6.30927949 25.10278957 6.27696213 0.06082491 -0.24319215 0.04206645 Sr 9.38086514 28.28114539 6.31916492 -0.01083663 0.14844009 -0.05357024 Sr 9.46890140 25.07621129 9.40406441 -0.16789516 -0.18111299 0.06147718 Sr 6.30575674 28.29207930 9.40388359 -0.05059868 0.09426697 0.00932742 Sr 12.48391622 25.10869855 6.32750946 0.07757544 -0.27283675 -0.07756647 Sr 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