500 Lattice="31.518114317973133 0.0 0.0 0.0 31.518114317973133 0.0 0.0 0.0 31.518114317973133" Properties=species:S:1:pos:R:3:forces:R:3 energy=-586.049688204331 stress="-0.00028419123843099456 1.1298914110923529e-07 1.8901084528586578e-05 1.1298914110923529e-07 -0.0002834362352999104 2.2892797919377032e-05 1.8901084528586578e-05 2.2892797919377032e-05 -0.00027303623583781064" free_energy=-586.049688204331 pbc="F F F" Sr 0.04251389 0.03758377 0.05113162 -0.10245705 -0.10827860 -0.09456599 Sr 3.14500548 3.17947667 0.03443052 0.12548672 0.07636457 -0.29887492 Sr 3.17377798 0.05721389 3.21240826 0.12241985 -0.25811139 0.09600469 Sr 0.03097148 3.20182610 3.17048255 -0.27903880 0.06201972 0.14355120 Sr 6.27520793 0.03840206 0.02541770 0.05134301 -0.15709668 -0.15456572 Sr 9.50995157 3.18747211 0.04997885 -0.06455990 0.15805808 -0.24514830 Sr 9.51285616 0.05847965 3.15672778 -0.08477791 -0.24008199 0.17221825 Sr 6.25136465 3.16708119 3.09538092 0.16676521 0.18575809 0.33986412 Sr 12.59364946 0.04642766 0.03582449 0.02797649 -0.18595622 -0.19824987 Sr 15.81218199 3.11067373 0.06035683 -0.07332668 0.20783315 -0.22514245 Sr 15.78766868 0.06275153 3.10780599 -0.04315034 -0.23384207 0.24352177 Sr 12.54517157 3.14503770 3.14037053 0.15886952 0.25775320 0.28487986 Sr 18.88481794 0.01912073 0.02732524 0.05856361 -0.19176751 -0.18944955 Sr 22.06561172 3.12846753 0.04472292 -0.01634138 0.16713595 -0.21759371 Sr 22.03988360 0.03029489 3.17958584 0.02817431 -0.21048425 0.15942344 Sr 18.97362651 3.11987959 3.17147646 -0.08490422 0.31610331 0.26474322 Sr 25.22259592 0.06074558 0.01771230 -0.11474493 -0.17375791 -0.15416918 Sr 28.39410875 3.15124679 0.02395089 0.16483590 0.10623856 -0.17350798 Sr 28.32349723 0.00258863 3.18471411 0.20111690 -0.19198248 0.06774835 Sr 25.25705002 3.20825958 3.21341863 -0.23610303 0.09446502 0.10566016 Sr 0.05469124 6.26129253 0.04754733 -0.20157270 0.05064771 -0.20056469 Sr 3.18832198 9.39935234 0.03702216 0.14069657 0.05406151 -0.19543344 Sr 3.16994276 6.24647010 3.14231638 0.20695364 0.13843072 0.25058898 Sr 0.01181951 9.46620026 3.09468992 -0.17554384 -0.05161106 0.21128536 Sr 6.30108661 6.24883950 0.03198147 0.10301751 0.11007536 -0.16590936 Sr 9.50468218 9.47503585 0.02436485 -0.09215353 -0.12696020 -0.16364907 Sr 9.50860839 6.29247853 3.20559631 -0.12163425 0.05463503 0.15485429 Sr 6.27148453 9.47659083 3.17556738 0.10829007 -0.05976828 0.21286738 Sr 12.68069967 6.32061996 0.03146954 -0.08587447 -0.03238001 -0.21233434 Sr 15.75431569 9.40053630 0.01004077 0.01620230 0.09573594 -0.19788070 Sr 15.70632808 6.34639854 3.08991801 0.02691317 -0.12428001 0.38726889 Sr 12.55072335 9.44012707 3.14212742 0.06391791 -0.02983142 0.25396195 Sr 18.86399626 6.24974959 0.02174077 0.06796489 0.01772357 -0.15366647 Sr 22.00620411 9.39608582 0.04979283 0.04090145 0.05588615 -0.14085023 Sr 22.11311319 6.24932534 3.18245378 -0.11350978 0.09938101 0.20351928 Sr 18.88427627 9.38013579 3.15320390 0.04180633 0.05883338 0.24972378 Sr 25.18239302 6.28141466 0.03614000 -0.08683464 0.03694951 -0.20814229 Sr 28.35110000 9.49239410 0.00020162 0.15558791 -0.07116753 -0.15530304 Sr 28.39735910 6.26108608 3.15678918 0.19398789 0.13135652 0.11372655 Sr 25.23387013 9.48974327 3.11708984 -0.25505620 -0.07695292 0.18467342 Sr 0.01066600 12.56603785 0.01043872 -0.13611849 0.03799269 -0.14312588 Sr 3.14308834 15.71076064 0.03452391 0.14471230 0.03156510 -0.21706302 Sr 3.11126977 12.64129482 3.20857356 0.25288932 -0.05749760 0.12158195 Sr 0.02923423 15.81158460 3.20250611 -0.25749293 -0.04612750 0.09463828 Sr 6.35415824 12.55114320 0.05676861 -0.01713285 0.05161986 -0.15249956 Sr 9.46129867 15.79992986 0.01707832 -0.04261469 -0.08476268 -0.10322268 Sr 9.49846719 12.54227322 3.19779929 -0.07846330 0.14376965 0.25180862 Sr 6.25887830 15.76142927 3.12172674 0.11377924 -0.04889212 0.24738197 Sr 12.56392825 12.54618425 0.02890750 0.05182530 0.08639035 -0.15354592 Sr 15.71296926 15.71631233 0.06148125 0.06142730 0.04672197 -0.14653552 Sr 15.76661820 12.53349914 3.13103556 0.02579206 0.02871164 0.23269491 Sr 12.65915516 15.78404286 3.19316378 -0.09408846 -0.04982712 0.21932519 Sr 18.91848134 12.57179174 0.05489495 -0.03056732 -0.00206269 -0.18226798 Sr 22.04982804 15.71201838 0.05630119 -0.00783462 0.02623756 -0.21842463 Sr 22.01505585 12.64437569 3.17854165 0.04864660 -0.11607328 0.13034211 Sr 18.93023030 15.73960203 3.15414515 -0.10606662 0.07762636 0.18492258 Sr 25.27601242 12.65001239 0.00835153 -0.30512785 -0.06319826 -0.19754839 Sr 28.31773946 15.72110905 0.01251014 0.21517991 0.04258888 -0.14408414 Sr 28.32526787 12.59056097 3.13065179 0.24927211 0.10215759 0.21746136 Sr 25.18397973 15.77586776 3.17599204 -0.10499278 -0.06772450 0.24483293 Sr 0.00083222 18.94727460 0.02312223 -0.13829852 -0.03862442 -0.13248465 Sr 3.11067318 22.04491891 0.03093378 0.21506672 0.00050025 -0.20950975 Sr 3.15243687 18.87891256 3.20017711 0.17005401 0.07453180 0.14258990 Sr 0.01895182 22.10575674 3.15987616 -0.23240946 -0.15220633 0.18075449 Sr 6.25936329 18.96342164 0.04133606 0.01686707 -0.07783706 -0.20912931 Sr 9.46621912 22.03052371 0.03615219 0.03191974 0.07103079 -0.13274681 Sr 9.40820343 18.91536155 3.15904397 0.06630132 -0.01123537 0.24811943 Sr 6.31285867 22.00140646 3.12875144 0.04084225 0.11077686 0.26855080 Sr 12.54155798 18.84943371 0.01233237 0.08980022 0.07436999 -0.13397838 Sr 15.77433471 22.03801260 0.00586572 -0.05136537 -0.01423579 -0.16192978 Sr 15.71659273 18.97151364 3.21323630 0.11643570 -0.09878378 0.13456911 Sr 12.66249299 22.03194002 3.19569221 -0.11731534 0.04052199 0.12503202 Sr 18.93959324 18.94455228 0.02168739 -0.05151131 -0.08160956 -0.11669836 Sr 22.01249796 22.10369758 0.02755349 0.12923776 -0.08292134 -0.16214778 Sr 22.11369138 18.86793033 3.12853657 -0.11196551 0.10560636 0.24308211 Sr 18.92082022 22.11271430 3.12322091 -0.00954823 -0.17683401 0.35773413 Sr 25.26220217 18.85802326 0.06221457 -0.20190581 0.09215870 -0.22116815 Sr 28.35924753 22.08391197 0.05767508 0.15962033 -0.05637936 -0.16009914 Sr 28.36201905 18.87439416 3.21163051 0.21102557 0.00456201 0.09826402 Sr 25.25277581 22.10295001 3.18468685 -0.26460146 -0.05193116 0.15837250 Sr 0.00562397 25.15310355 0.01821615 -0.20431839 -0.04390165 -0.18392476 Sr 3.08969653 28.34317755 0.03866163 0.12400556 0.16260762 -0.18570451 Sr 3.10787097 25.15318368 3.16454713 0.27367978 -0.08387955 0.14404639 Sr 0.00173955 28.42694419 3.15508893 -0.17582731 0.11958640 0.12361193 Sr 6.31608671 25.26545364 0.04988723 0.01131452 -0.22495371 -0.17913180 Sr 9.45410062 28.41234206 0.03808260 0.04390534 0.13681160 -0.14370377 Sr 9.49651078 25.27021780 3.20053156 -0.06249305 -0.31400939 0.07243889 Sr 6.29522540 28.38950613 3.11409409 0.00065111 0.20405910 0.16656330 Sr 12.64739947 25.24675161 0.02751478 -0.04359383 -0.22095371 -0.16641409 Sr 15.69926981 28.38805371 0.04462739 0.05313578 0.12401509 -0.17860983 Sr 15.80973992 25.16208825 3.21400228 -0.05343655 -0.15906579 0.16809651 Sr 12.66204035 28.32304257 3.17740715 -0.02439593 0.25006722 0.16047019 Sr 18.94656999 25.19804208 0.02269553 -0.08087332 -0.05126842 -0.23274943 Sr 22.05964521 28.41852867 0.01047538 -0.00270890 0.10727531 -0.10260181 Sr 22.00974796 25.18923323 3.18278564 0.06299441 -0.12446617 0.22429426 Sr 18.82322518 28.38036622 3.12234535 0.06568850 0.16413292 0.18695415 Sr 25.24859294 25.23352648 0.00711009 -0.19260672 -0.13128121 -0.19031863 Sr 28.31594349 28.42361629 0.02213875 0.09846733 0.08286959 -0.06568006 Sr 28.39669142 25.17769317 3.20138515 0.22214747 -0.07471502 0.11813572 Sr 25.20198252 28.33627991 3.20950914 -0.11917291 0.18385770 0.09134581 Sr 0.05085707 0.00989839 6.29055348 -0.17571098 -0.13907175 0.02297552 Sr 3.14791671 3.19903146 6.29306346 0.23511025 0.13011991 0.06492440 Sr 3.09924592 0.00549435 9.50206200 0.24846356 -0.22108043 -0.08913235 Sr 0.05557009 3.14811756 9.47741451 -0.27058010 0.16577040 -0.05041389 Sr 6.33035275 0.00063289 6.29604674 -0.01426093 -0.12691601 0.04366923 Sr 9.47458112 3.11760592 6.31739995 -0.08271661 0.27826450 0.00758962 Sr 9.48512609 0.01816386 9.43553428 -0.08754664 -0.18489653 0.05336242 Sr 6.25708871 3.20397081 9.40268153 0.09266801 0.12319872 0.09681062 Sr 12.67956275 0.03354677 6.34816150 -0.00542734 -0.20484714 -0.03844268 Sr 15.75598013 3.12925944 6.32100254 -0.03961118 0.33461469 -0.06122360 Sr 15.83129487 0.04238482 9.48884448 -0.05859877 -0.17644783 0.00115600 Sr 12.54448829 3.10459928 9.44298319 0.13376343 0.27045020 0.02028806 Sr 18.88151539 0.03433393 6.35332081 0.06854392 -0.17130881 -0.00151234 Sr 22.06597049 3.21035393 6.32913536 -0.05700039 0.12668224 0.03886552 Sr 22.11954308 0.00975733 9.50168011 -0.12774870 -0.16054775 -0.04909872 Sr 18.86676656 3.20663448 9.42739069 0.12374551 0.16634349 0.02756183 Sr 25.22606656 0.03994510 6.26888348 -0.17359779 -0.17964831 0.08869432 Sr 28.40747085 3.16589120 6.25674920 0.18414203 0.12725333 0.13187776 Sr 28.35018980 0.05901665 9.48998334 0.16124823 -0.13190656 -0.05761701 Sr 25.15153185 3.15999719 9.49084281 -0.07488890 0.23661478 -0.08337765 Sr 0.02602722 6.29274153 6.27370184 -0.19107721 0.07239320 0.04798738 Sr 3.19551111 9.39679455 6.27543072 0.17284011 0.03686912 0.05645704 Sr 3.11815483 6.30473840 9.44111366 0.20969208 0.06213936 0.05905224 Sr 0.00092656 9.50558507 9.40679313 -0.18855197 -0.11653894 0.02283827 Sr 6.31800886 6.32017578 6.33796511 0.08216822 -0.01370083 -0.03099810 Sr 9.47426336 9.40710603 6.35809245 -0.07884109 0.08228342 0.00639622 Sr 9.50691900 6.29648225 9.53742946 -0.07571273 0.01173808 -0.06528160 Sr 6.31583107 9.40360630 9.49795566 0.03856462 0.14173068 -0.03170352 Sr 12.54642467 6.30973974 6.36120113 0.11768893 -0.06801839 -0.04192756 Sr 15.69549324 9.41437352 6.26330547 0.10228054 0.04562210 0.09908109 Sr 15.75770711 6.28424489 9.47307307 -0.05526736 0.03727584 -0.07844348 Sr 12.61363948 9.40495845 9.41189885 0.01177923 0.15079863 0.11345482 Sr 18.85244991 6.35974729 6.33245389 0.03387443 -0.01795656 -0.02519269 Sr 22.06360789 9.46644270 6.24155752 -0.06177221 -0.02220738 0.10961674 Sr 22.07806061 6.30313375 9.42070341 -0.05050075 0.11200899 0.02928942 Sr 18.88749927 9.46851387 9.52824070 0.05166492 0.04515120 -0.13524934 Sr 25.24989177 6.30346041 6.29014262 -0.19630523 0.07953632 0.07921749 Sr 28.33228655 9.51446933 6.27173949 0.20325203 -0.09147691 0.04670087 Sr 28.35872532 6.26874891 9.48649548 0.12550536 0.06023180 -0.02777259 Sr 25.23620720 9.51140244 9.39713077 -0.21302438 -0.08411363 0.08594424 Sr 0.06236704 12.53898146 6.29723849 -0.18617556 0.07647226 0.02127564 Sr 3.11372042 15.80053186 6.28117980 0.27479092 -0.10079356 0.09425850 Sr 3.09790209 12.56960875 9.50082918 0.34738437 0.09933635 -0.05884677 Sr 0.02299041 15.80855673 9.45031767 -0.15388738 -0.09940824 0.02538119 Sr 6.26223806 12.63173421 6.33191223 0.03947777 -0.06591059 -0.01468528 Sr 9.40016378 15.81069254 6.32245940 0.12397230 -0.06411037 -0.03601898 Sr 9.43474855 12.66800113 9.38872080 0.06816264 -0.12112908 0.05477929 Sr 6.29978196 15.70737924 9.40296636 -0.05246540 0.03948096 0.09054279 Sr 12.67581946 12.56914152 6.24147209 -0.10040113 0.07032141 0.13206551 Sr 15.79561581 15.70101004 6.30369115 -0.05515807 0.07794421 -0.00277292 Sr 15.79413734 12.65381303 9.43160123 -0.04872422 -0.13943167 0.05943995 Sr 12.63232183 15.71465876 9.51101373 -0.05936903 0.03118180 -0.14301749 Sr 18.96772427 12.66086578 6.31806223 -0.06841874 -0.14887589 0.06057651 Sr 22.06625030 15.71988089 6.27592431 0.00523107 0.07650339 0.18080468 Sr 22.10979933 12.58945445 9.54261630 -0.14082426 -0.00021429 -0.12749917 Sr 18.87025522 15.75291889 9.52111600 0.13861649 0.05598853 -0.05359239 Sr 25.20827496 12.56649304 6.24179117 -0.20706685 0.12818967 0.10907441 Sr 28.38739407 15.81946208 6.41807675 0.08634007 -0.09016695 -0.08353057 Sr 28.40553278 12.63229069 9.44633379 0.11553481 0.00549167 0.04505258 Sr 25.18440389 15.72097001 9.51168203 -0.13916257 0.05595338 -0.13915127 Sr 0.04334913 18.91920241 6.36545623 -0.19601107 0.05357972 -0.06916522 Sr 3.20927516 22.08298946 6.27368715 0.21447802 -0.04498221 0.11367960 Sr 3.20443900 18.85733790 9.39617425 0.22010280 0.09540005 0.10646038 Sr 0.01177471 22.02132230 9.40418125 -0.07323013 0.05551362 0.05988452 Sr 6.31555375 18.89784686 6.30174027 0.03038025 0.03699972 0.02714427 Sr 9.46271969 22.11197921 6.34286833 -0.07701465 -0.08695460 -0.09137747 Sr 9.41281445 18.94861750 9.47617543 0.09816686 -0.05279622 -0.08093668 Sr 6.34415052 22.02394532 9.47960243 -0.07952043 0.08704164 -0.06123778 Sr 12.56132433 18.94232292 6.29918952 -0.02991372 -0.11957217 0.09700674 Sr 15.70461374 22.00266936 6.36545890 0.11766716 0.07164645 0.03461784 Sr 15.70697583 18.88485998 9.41924790 0.05886107 0.07748806 0.04313377 Sr 12.55324426 22.11414085 9.39872302 0.08783344 -0.08492511 0.13898315 Sr 18.91580705 18.84811834 6.31668267 0.02811175 0.07967804 0.02409543 Sr 22.09217321 21.98570800 6.34877757 -0.10208331 0.02669924 -0.03872665 Sr 22.09082025 18.91501633 9.51791207 -0.08194678 -0.03642702 -0.08043977 Sr 18.95804468 22.07613700 9.49862410 -0.10560728 -0.13429000 -0.08899833 Sr 25.21044387 18.94269654 6.27527599 -0.22149615 -0.08317684 0.11733025 Sr 28.40364612 22.00806348 6.34722016 0.16687909 0.03989837 -0.00688042 Sr 28.37546448 18.93190892 9.44219759 0.12169742 -0.03684630 0.05321450 Sr 25.24884701 22.06873428 9.44703393 -0.23270439 -0.06979421 0.06494409 Sr 0.00773683 25.15448140 6.27068899 -0.17696822 -0.04219137 0.10274870 Sr 3.18412373 28.33839932 6.25887875 0.07467303 0.18620010 0.05017387 Sr 3.20162543 25.24786012 9.50016511 0.17628088 -0.28548169 -0.09766734 Sr 0.00037823 28.39489258 9.45724467 -0.12548907 0.13238171 -0.07801931 Sr 6.30625925 25.27750766 6.25021869 0.01871744 -0.33305398 0.08012233 Sr 9.42317209 28.32949320 6.31849701 0.03955986 0.22732294 0.03278526 Sr 9.47366207 25.16054742 9.45277889 -0.05226679 -0.08229826 0.08054799 Sr 6.30377816 28.40942476 9.41956142 0.04476706 0.12049968 0.03066000 Sr 12.55332485 25.26191255 6.24872114 0.15189516 -0.25291158 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