500 Lattice="31.37213606378682 0.0 0.0 0.0 31.37213606378682 0.0 0.0 0.0 31.37213606378682" Properties=species:S:1:pos:R:3:forces:R:3 energy=-620.5493827659228 stress="-0.00025749726200901353 -2.4002277010583713e-05 1.7999245581813018e-05 -2.4002277010583713e-05 -0.000277621488439379 3.9963628498094995e-05 1.7999245581813018e-05 3.9963628498094995e-05 -0.0002862343126410162" free_energy=-620.5493827659228 pbc="F F F" Sr 0.00285839 0.03535842 0.00660449 -0.13523101 -0.13335074 -0.14081190 Sr 3.13962992 3.11974912 0.03027773 0.17021818 0.20733446 -0.28934942 Sr 3.11413252 0.05780687 3.08819758 0.15070566 -0.28238070 0.22705349 Sr 0.00340131 3.14818196 3.08819166 -0.24570497 0.13980508 0.26819413 Sr 6.25794541 0.03611900 0.03827237 0.05923689 -0.20830080 -0.15778064 Sr 9.37491176 3.11002727 0.04050652 0.02228304 0.19811237 -0.22378923 Sr 9.51094350 0.02653657 3.18025388 -0.11486257 -0.22923798 0.13733209 Sr 6.28211560 3.13738698 3.14524920 0.03018948 0.21624821 0.22751311 Sr 12.59717837 0.01210824 0.02126614 -0.03323726 -0.14388195 -0.22134487 Sr 15.74538559 3.16522752 0.02446246 -0.05515763 0.14839209 -0.23188844 Sr 15.65343694 0.00794878 3.08278149 0.04635808 -0.21464247 0.23758378 Sr 12.53168358 3.07521138 3.16587323 0.01806954 0.31147769 0.21110461 Sr 18.86469339 0.05213053 0.02394309 -0.00070861 -0.16325192 -0.17940093 Sr 22.02195591 3.18202438 0.03523894 -0.05899554 0.12138526 -0.20688090 Sr 21.94533362 0.01285990 3.13665647 0.02226158 -0.16248827 0.19220210 Sr 18.76471661 3.16901377 3.13846454 0.09010225 0.19482444 0.23616287 Sr 25.07433598 0.03501557 0.01802784 -0.07095624 -0.18373458 -0.17257136 Sr 28.28927068 3.13848822 0.02582319 0.16578653 0.13213254 -0.16317744 Sr 28.26417519 0.04385109 3.15661230 0.17104605 -0.24808128 0.08159824 Sr 25.15730913 3.13663959 3.18172149 -0.22341299 0.18286450 0.11205340 Sr 0.00771054 6.21285009 0.05664903 -0.16305058 0.06270117 -0.19616121 Sr 3.11144677 9.36931728 0.03934884 0.13953857 0.05515678 -0.20405531 Sr 3.17686248 6.27129867 3.18503287 0.19656202 -0.01359545 0.19418264 Sr 0.05200411 9.36125129 3.16872144 -0.24448005 0.05826982 0.11224646 Sr 6.21537709 6.31493811 0.01015165 0.08753315 -0.05504705 -0.17907617 Sr 9.36154741 9.41479691 0.05228597 0.11459162 -0.04802503 -0.22392340 Sr 9.38232443 6.21945429 3.19810163 0.07153998 0.06001402 0.10234915 Sr 6.33618171 9.39890819 3.10042388 -0.09923738 0.06274694 0.33969981 Sr 12.56418338 6.19961938 0.05816305 -0.06730724 0.09007085 -0.16599627 Sr 15.68193342 9.40849119 0.04563708 -0.06957784 -0.07423933 -0.18377401 Sr 15.59216488 6.25472331 3.18757677 0.06847291 0.09184762 0.15356791 Sr 12.49396115 9.43120151 3.14794339 0.07611734 -0.01113789 0.18915551 Sr 18.85895003 6.25903565 0.05698924 -0.06816815 0.04208272 -0.17524006 Sr 21.93498899 9.36134404 0.00281639 0.00207400 0.05875971 -0.15744423 Sr 22.00790597 6.24237940 3.11461294 -0.10332847 0.09459882 0.29807921 Sr 18.78791898 9.42661034 3.09319478 0.09124834 -0.06424928 0.34925880 Sr 25.14887343 6.27074883 0.00497582 -0.13831898 -0.00568553 -0.21669342 Sr 28.20987543 9.43022917 0.02423565 0.18617479 0.02488614 -0.19856372 Sr 28.28256001 6.36127537 3.17001305 0.21581736 -0.08743299 0.11352034 Sr 25.10526120 9.36427199 3.09827344 -0.24723089 0.08965945 0.30222335 Sr 0.06241575 12.60840543 0.05697705 -0.18800510 -0.06133807 -0.15418421 Sr 3.15210313 15.67323415 0.01900158 0.19270062 0.08755599 -0.20599735 Sr 3.14644078 12.55941358 3.18287970 0.24203557 -0.08402923 0.20472407 Sr 0.05955328 15.72114357 3.15572137 -0.23089438 0.04769982 0.13909889 Sr 6.24182222 12.53016035 0.05904647 0.03154380 0.02232364 -0.20336223 Sr 9.47103559 15.62788124 0.03005119 -0.13512904 0.02520906 -0.17471634 Sr 9.44602273 12.52133085 3.11772868 -0.05427028 0.11767411 0.31407423 Sr 6.26668927 15.62939128 3.18184284 0.07786500 0.08655458 0.23889232 Sr 12.58032042 12.58494302 0.04783420 0.02276319 -0.07929285 -0.18422960 Sr 15.62562982 15.74770702 0.00074406 0.10365834 -0.04895770 -0.16386690 Sr 15.74223456 12.52417900 3.14598176 -0.12315549 0.10712523 0.25474474 Sr 12.52690503 15.69295905 3.14478564 0.07073581 -0.02332041 0.28662867 Sr 18.76019761 12.49243602 0.04850114 0.07955649 0.09629672 -0.22171854 Sr 21.87434499 15.74694711 0.04312155 0.02465046 -0.16195808 -0.23259367 Sr 21.96836668 12.55486691 3.19085116 -0.07450044 -0.04795957 0.11291627 Sr 18.83721522 15.67687065 3.10009709 -0.06152464 0.00659406 0.28361342 Sr 25.05127096 12.53493747 0.04556971 -0.14496371 0.06051835 -0.18319975 Sr 28.25915132 15.68921629 0.03368831 0.13114031 -0.04663681 -0.15635084 Sr 28.29023337 12.52278030 3.17965864 0.12940389 0.04017391 0.15077185 Sr 25.07981826 15.72641510 3.13370788 -0.11391252 -0.04981379 0.23427805 Sr 0.00517935 18.88845471 0.03997191 -0.15740353 -0.05894220 -0.18093797 Sr 3.13883865 21.97555824 0.03280889 0.20223245 -0.01900567 -0.22476278 Sr 3.15358429 18.84719709 3.13550038 0.25431007 -0.09419311 0.20384934 Sr 0.05287860 21.96197746 3.12844927 -0.24504723 -0.00629955 0.17249527 Sr 6.33278644 18.87605479 0.04221133 0.01046483 -0.08823189 -0.15525437 Sr 9.47165555 21.95459843 0.02102773 -0.06524791 -0.02623927 -0.18712663 Sr 9.41629526 18.77329496 3.19171042 -0.04792138 0.02062134 0.19726159 Sr 6.28620707 21.94847526 3.16725391 0.00459339 -0.00734241 0.14597405 Sr 12.48411246 18.76236255 0.01508116 0.05285004 0.09997336 -0.14521349 Sr 15.71733819 21.94048627 0.01239567 -0.06442671 -0.02063377 -0.15261258 Sr 15.74873787 18.79239381 3.09848374 -0.08669884 0.05931516 0.28260607 Sr 12.49507870 21.95410228 3.15824720 0.09884890 -0.08360332 0.22407930 Sr 18.88265509 18.88507474 0.01224965 -0.11655804 -0.04648362 -0.19710619 Sr 21.91943871 21.91611275 0.03154762 0.04351442 0.09059246 -0.14113036 Sr 21.92182635 18.76812510 3.10571877 -0.01756869 0.08891882 0.35011903 Sr 18.77841890 21.98147180 3.19316380 0.12548072 -0.04845639 0.18582916 Sr 25.04962499 18.76130889 0.02087354 -0.11896428 0.02163969 -0.26004001 Sr 28.19389648 21.91606291 0.06051159 0.18809739 0.01443695 -0.26956584 Sr 28.26997612 18.84048359 3.08067851 0.18247265 -0.05635951 0.27343407 Sr 25.14293606 21.89719073 3.08151920 -0.31618294 0.01439627 0.30634085 Sr 0.02574736 25.09213464 0.04612570 -0.20624817 -0.10406525 -0.21649018 Sr 3.13140015 28.25383770 0.04541269 0.11970937 0.20411910 -0.22975021 Sr 3.13041057 25.13885504 3.15146839 0.25642741 -0.26960532 0.21548160 Sr 0.06112371 28.22991328 3.13470448 -0.23766239 0.22167706 0.14421010 Sr 6.24044830 25.12296563 0.01142980 0.04350084 -0.20813738 -0.23488844 Sr 9.48309356 28.17720997 0.02183910 -0.04701983 0.18388063 -0.19831517 Sr 9.35956510 25.04020078 3.08330612 0.07286578 -0.13054602 0.25887352 Sr 6.29788403 28.21595637 3.10349186 0.03372171 0.24908197 0.17588821 Sr 12.56168894 25.07619618 0.00213437 0.06690442 -0.17322336 -0.17980732 Sr 15.69263091 28.21656447 0.00721947 -0.03964120 0.14137719 -0.14053042 Sr 15.71259974 25.03953821 3.19966473 -0.06366776 -0.13359480 0.08950804 Sr 12.51351996 28.18794195 3.12852775 0.06580618 0.19915220 0.10469734 Sr 18.83790081 25.13807075 0.04141519 -0.01675789 -0.23109359 -0.20537632 Sr 21.94184999 28.22133542 0.01417064 0.00681597 0.19962112 -0.15160910 Sr 21.99379236 25.14952515 3.14435225 -0.08631735 -0.29676929 0.22432097 Sr 18.76751718 28.23484577 3.13180800 0.02239291 0.18665868 0.19094487 Sr 25.10834395 25.14701891 0.03867631 -0.19137815 -0.20345209 -0.28567028 Sr 28.24742020 28.24154781 0.02095677 0.12818952 0.12002685 -0.12370753 Sr 28.17961559 25.08235037 3.09911924 0.28365674 -0.11571630 0.24599888 Sr 25.15832421 28.27671344 3.14798603 -0.20112385 0.27699454 0.16449232 Sr 0.04682959 0.02558001 6.28962770 -0.17932537 -0.14732928 -0.00571812 Sr 3.15666164 3.13406786 6.31971614 0.18862569 0.29116194 -0.03034715 Sr 3.18044382 0.04636269 9.36877444 0.11580743 -0.26408956 0.06476214 Sr 0.01207690 3.10551068 9.49919249 -0.19551023 0.19819852 -0.07741799 Sr 6.26897509 0.04847864 6.22661921 0.04891106 -0.20219205 0.01544008 Sr 9.38518053 3.17991048 6.36138821 0.03277705 0.16652971 -0.06249691 Sr 9.42063007 0.06259602 9.35487373 -0.00943593 -0.20002551 0.05779614 Sr 6.23723516 3.09776819 9.46999772 0.04145772 0.37592950 -0.05368865 Sr 12.54772724 0.05675691 6.29080115 0.06985408 -0.17770263 0.06485011 Sr 15.69308454 3.18040058 6.28757680 -0.06274529 0.11590759 0.03957565 Sr 15.65729243 0.00903220 9.47817282 0.03184083 -0.17064847 -0.06424000 Sr 12.55751527 3.13347593 9.47193670 -0.00177084 0.29093736 -0.09768969 Sr 18.81993566 0.05736449 6.21817593 -0.02312572 -0.14762285 0.11765774 Sr 21.99972438 3.18821525 6.28051168 -0.14361410 0.16896222 0.03087324 Sr 21.99960026 0.02464013 9.41063857 -0.08556175 -0.12722667 -0.02216699 Sr 18.79262060 3.19226035 9.43118449 0.07714947 0.10592898 -0.09939807 Sr 25.10820753 0.01727186 6.32954960 -0.20425296 -0.24648693 -0.08105353 Sr 28.23367596 3.09041129 6.22618450 0.26511858 0.23459376 0.04682461 Sr 28.20835222 0.01849519 9.35240290 0.21451708 -0.19015903 0.04336578 Sr 25.14110609 3.14582952 9.37389516 -0.25547137 0.24585506 0.10261615 Sr 0.01531663 6.27779302 6.27811319 -0.22793326 -0.07508276 0.03240504 Sr 3.08521633 9.36358408 6.29137199 0.33691595 0.14477928 -0.01437068 Sr 3.07623329 6.33258849 9.36931679 0.33117093 -0.11113995 0.08709078 Sr 0.00340590 9.45257336 9.38047755 -0.18773710 0.03756318 0.01090613 Sr 6.34231014 6.33491734 6.23118285 -0.10424997 -0.04289637 0.09605052 Sr 9.41424972 9.49212650 6.22267626 0.00390560 -0.02015175 0.16279932 Sr 9.32242918 6.23031161 9.35750674 0.13313197 0.15889507 0.10777650 Sr 6.21705708 9.33980297 9.38069924 0.12667208 0.10141940 0.02827492 Sr 12.52184664 6.31800459 6.23614753 0.00554462 0.00750708 0.17439826 Sr 15.70400393 9.45339947 6.25296470 -0.05629793 -0.02829827 0.08533992 Sr 15.74705285 6.23008156 9.37691170 -0.13366394 0.19913760 0.02083199 Sr 12.52061258 9.48749001 9.40175018 0.04550592 -0.12897824 0.00090340 Sr 18.76768431 6.29752574 6.22039249 0.15248932 0.06833390 0.06731064 Sr 21.95774719 9.47061251 6.28323293 -0.04643021 -0.14170105 -0.03678962 Sr 21.99446292 6.26019819 9.45618796 -0.09886299 0.07827892 -0.15399675 Sr 18.84045560 9.46428314 9.37188813 -0.04551929 -0.07360452 0.07372171 Sr 25.08996273 6.23377929 6.23084303 -0.20993708 0.14961702 0.10741418 Sr 28.23400315 9.36902543 6.27533602 0.09846533 0.08708013 0.08734288 Sr 28.24734157 6.22702034 9.34513982 0.13144818 0.07134965 0.08373976 Sr 25.06079317 9.42227240 9.44992855 -0.16049959 0.00911084 -0.05424074 Sr 0.00943218 12.60381990 6.21554176 -0.20129782 -0.07742882 0.09241808 Sr 3.08103707 15.63788805 6.33361073 0.33160285 0.14559592 -0.04368355 Sr 3.17190388 12.62197731 9.41322212 0.18188465 -0.09472283 -0.01038807 Sr 0.01603270 15.73514361 9.39749482 -0.19123005 -0.04896051 0.05884503 Sr 6.26810546 12.57073711 6.33495331 0.06581735 -0.05300701 -0.02217196 Sr 9.47056152 15.71819768 6.37192928 -0.10806039 -0.06962175 -0.06868723 Sr 9.39350627 12.58412967 9.44727146 -0.08896656 -0.09404307 -0.02884177 Sr 6.27265187 15.78277603 9.37673927 0.04861776 -0.02084475 0.11937073 Sr 12.57911008 12.60884197 6.28042735 0.02516205 0.00004141 0.03545187 Sr 15.70879557 15.80119408 6.24731054 -0.07285904 -0.08040548 0.06101437 Sr 15.73818760 12.59036233 9.39689167 -0.10069254 -0.06093019 0.05023878 Sr 12.49462958 15.64690206 9.50651109 0.15638380 0.05202148 -0.10267484 Sr 18.77792733 12.62614147 6.29623072 0.02555514 -0.05588027 -0.06165764 Sr 21.98457413 15.63889424 6.24458817 -0.08553558 0.10007649 0.13360398 Sr 21.91231012 12.50094891 9.35844123 0.03557198 0.10352150 0.15887913 Sr 18.78521639 15.64580868 9.40420145 0.12422069 0.12032415 0.03553713 Sr 25.07439604 12.59814485 6.27069761 -0.07662179 -0.06384369 0.04637992 Sr 28.29104026 15.73230651 6.29805358 0.09373378 -0.03505614 0.00646780 Sr 28.22214040 12.50317782 9.47724901 0.14117209 0.04757775 -0.09818073 Sr 25.11375737 15.66770449 9.47286413 -0.26083843 -0.00192309 -0.09554971 Sr 0.06055489 18.88960434 6.26448366 -0.21842212 -0.05947717 0.02044180 Sr 3.15341647 21.92282491 6.25202508 0.26633495 0.09526168 0.05433104 Sr 3.09742846 18.86984835 9.42032127 0.29035949 -0.01928541 0.07217317 Sr 0.02684811 22.01554147 9.37136623 -0.21015084 -0.10946478 0.08478709 Sr 6.25423814 18.87140245 6.28072299 0.07232344 -0.09042336 0.05816987 Sr 9.37154286 22.01823657 6.24881922 0.08577564 -0.12594845 0.08356505 Sr 9.45568241 18.86283731 9.45505721 -0.13625772 -0.02992782 -0.06369093 Sr 6.28540145 22.00981721 9.41717575 -0.05015829 -0.16069002 -0.05014232 Sr 12.48872560 18.79011455 6.30536046 0.11999404 0.08242957 0.03172539 Sr 15.70026728 21.94636504 6.21936477 -0.13200649 -0.13591471 0.15997768 Sr 15.68450501 18.79974130 9.45002212 -0.04013177 0.03850585 -0.08269496 Sr 12.51131870 21.95845590 9.41350752 0.07483996 0.02181389 -0.11833799 Sr 18.88249612 18.82865237 6.36230997 -0.03271770 -0.02975767 -0.05496776 Sr 22.00589344 21.91675648 6.19983076 -0.10459268 0.08517147 0.05905462 Sr 21.97235757 18.85289299 9.41863621 -0.06109539 -0.07317382 0.02279799 Sr 18.79056506 22.00534480 9.37548103 0.00673762 -0.07987054 0.04377956 Sr 25.05104430 18.82738589 6.32544192 -0.10467471 -0.06147455 -0.02828942 Sr 28.23483133 21.96039421 6.29437418 0.13041504 -0.06753301 0.00052930 Sr 28.26082424 18.76315798 9.47607633 0.10264384 0.11698110 -0.05767178 Sr 25.04176566 22.00740298 9.35551353 -0.12878141 -0.07329417 0.11706804 Sr 0.00211975 25.06049381 6.22565760 -0.19078278 -0.08221058 0.06246900 Sr 3.17107688 28.24414891 6.27376409 0.12267068 0.16679876 0.06049806 Sr 3.09893092 25.03936322 9.43514218 0.31234606 -0.09808465 -0.11286017 Sr 0.00827538 28.23803414 9.43772978 -0.13506338 0.15606222 -0.06750371 Sr 6.32436542 25.12189421 6.21999097 -0.07640010 -0.18978228 0.10550195 Sr 9.46910992 28.29744672 6.20711460 -0.06803581 0.11753021 0.07372845 Sr 9.33229065 25.05588801 9.38666509 0.13077648 -0.07584533 0.02179607 Sr 6.28578477 28.29237068 9.37292379 0.05555966 0.09388926 0.02385272 Sr 12.55577107 25.15735368 6.24376094 -0.07250196 -0.35994783 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