500 Lattice="37.1885927581061 0.0 0.0 0.0 37.1885927581061 0.0 0.0 0.0 37.1885927581061" Properties=species:S:1:pos:R:3:forces:R:3 energy=-356.6124794300156 stress="-9.153283520842944e-05 -7.162193943666609e-06 3.9253640363235956e-07 -7.162193943666609e-06 -9.026297545186013e-05 5.355982877134152e-06 3.9253640363235956e-07 5.355982877134152e-06 -9.281717677248042e-05" free_energy=-356.6124794300156 pbc="F F F" Cs 0.04723723 0.02977063 0.05508649 0.02093059 0.01995144 0.03291173 Cs 3.65763953 3.69537902 0.04453042 0.04269877 0.00559845 -0.02517985 Cs 3.70295434 0.01433299 3.78613323 0.02888722 -0.02443503 -0.01287576 Cs 0.02702133 3.67721612 3.68704989 -0.02702120 0.03541542 0.03006681 Cs 7.50973900 0.00515629 0.03887367 -0.01926000 0.02345951 0.01362350 Cs 11.23086495 3.73631188 0.05736050 -0.00255823 0.01570191 -0.02032032 Cs 11.10471140 0.06573063 3.67696877 0.01736660 -0.02389474 0.03561698 Cs 7.38351417 3.72443152 3.77995006 0.00887930 0.00420025 -0.03534450 Cs 14.88568341 0.01493245 0.05161388 -0.00843652 0.01704977 0.01245480 Cs 18.61379240 3.77267783 0.00687036 -0.02068368 -0.00824888 -0.03203665 Cs 18.56085517 0.05434013 3.65407445 0.00840779 -0.02194808 0.01733389 Cs 14.89963480 3.77948543 3.79005733 -0.01601925 -0.00718932 -0.01971103 Cs 22.33196614 0.01046754 0.03548779 -0.00449628 0.01481893 0.00622038 Cs 26.09996927 3.74709792 0.04727080 -0.01584496 0.01139062 -0.02571092 Cs 25.95900532 0.05996806 3.71128331 0.01401251 -0.03088368 0.00754937 Cs 22.27012620 3.74356315 3.66771011 0.00686552 0.01523164 0.02060562 Cs 29.77540772 0.04015362 0.06009180 -0.02380847 0.01177426 0.01398686 Cs 33.47802892 3.73811521 0.06087673 -0.01235628 0.01587049 0.01256010 Cs 33.44011836 0.01721449 3.72414307 -0.00388761 0.01493843 0.02388129 Cs 29.73853454 3.72680682 3.70277486 0.00475803 0.01351766 0.02234356 Cs 0.11048215 7.41764981 0.02031767 -0.00447955 -0.00174717 0.00489409 Cs 3.76291832 11.11233074 0.03239045 0.00671541 0.01383477 -0.01765891 Cs 3.71958171 7.37049080 3.72695966 0.00458462 0.01144242 0.01455896 Cs 0.05599514 11.07526800 3.77565995 -0.02376813 0.00860586 -0.01356543 Cs 7.47373683 7.43241971 0.05926076 -0.01748199 -0.02181222 -0.02775723 Cs 11.10211317 11.19251825 0.03156704 0.01819180 -0.00600094 -0.03243338 Cs 11.15937008 7.47972130 3.70784394 0.01368733 -0.01199582 0.02523073 Cs 7.46041882 11.12601174 3.66648716 -0.02019994 0.01376755 0.04300642 Cs 14.91590939 7.44538569 0.01729863 -0.01532617 0.00783459 -0.02876696 Cs 18.58712105 11.12963808 0.03042106 -0.00353873 -0.00016168 -0.02246366 Cs 18.56390873 7.38947092 3.64738101 0.01270520 0.01352592 0.04128303 Cs 14.93300590 11.14490486 3.74485676 -0.01836327 -0.00353288 0.01571099 Cs 22.24098777 7.46238641 0.04108237 0.02454404 0.00879027 -0.03413709 Cs 26.13373429 11.21483068 0.00851323 -0.01777852 -0.01795318 -0.03015752 Cs 26.03867351 7.45785293 3.70405314 0.01186937 -0.00911170 0.00334148 Cs 22.37268187 11.08469796 3.77257238 -0.02626541 0.02098101 -0.01362583 Cs 29.80980294 7.41363027 0.01551222 -0.01226169 0.00295701 -0.01963996 Cs 33.43150609 11.12269948 0.04632090 -0.01048151 -0.00677852 0.01376056 Cs 33.49113919 7.38925942 3.76539756 0.01199579 0.01389178 0.01988559 Cs 29.70037022 11.19352899 3.69661178 0.01933995 -0.01423336 0.03013307 Cs 0.01813869 14.87016587 0.00003790 0.01471786 -0.01443340 0.02470170 Cs 3.70017724 18.55172758 0.02510671 0.01357808 0.00735365 -0.01920396 Cs 3.66360456 14.89132649 3.76349599 0.01373757 -0.02298514 -0.02250850 Cs 0.05085135 18.65881021 3.69396925 -0.02347303 -0.00986322 0.00311596 Cs 7.44096183 14.85281240 0.06985917 -0.00940126 0.01036350 -0.02626952 Cs 11.14668097 18.56132033 0.00744299 0.00081091 -0.01133773 -0.01675329 Cs 11.24070118 14.88110617 3.73420962 -0.01850867 -0.01794739 0.02254469 Cs 7.37062302 18.55856207 3.69628823 0.02632852 0.00445359 0.01661636 Cs 14.85896194 14.83503292 0.05446857 0.00788685 0.00836608 -0.03721831 Cs 18.52525507 18.66509372 0.07118804 0.00236854 -0.01688287 -0.04496136 Cs 18.54155322 14.96145285 3.66197223 -0.00195468 -0.01053165 0.04579175 Cs 14.80506237 18.64701866 3.71861700 0.02362299 -0.00691883 0.01913199 Cs 22.22530732 14.82977700 0.05118267 0.01175391 0.00680390 -0.01388935 Cs 26.03351177 18.59953521 0.03318007 0.01057362 -0.00604209 -0.01049350 Cs 26.08077364 14.83034811 3.71739521 -0.01883245 0.01691813 0.00752835 Cs 22.28946256 18.66080905 3.67984731 0.01649756 -0.01242560 0.02209245 Cs 29.78112836 14.85134263 0.00750399 0.00592604 0.01912426 -0.02815414 Cs 33.46441192 18.60774745 0.05439393 -0.01240218 -0.00386185 0.01251111 Cs 33.48820767 14.80284755 3.78068502 0.00863270 0.01103687 0.01081787 Cs 29.78627512 18.52936247 3.76366616 -0.00926384 0.00766928 0.00737566 Cs 0.06505698 22.34615090 0.06210519 0.00507877 -0.00851433 0.00685044 Cs 3.66907300 26.00088886 0.05167525 0.03269630 0.01320709 -0.03674418 Cs 3.78084243 22.37445579 3.74766984 -0.00933848 -0.02297318 0.00242682 Cs 0.02725388 26.03524035 3.69126187 -0.01566125 0.01011108 0.03646206 Cs 7.42333684 22.22705692 0.00879531 0.00336313 0.01619782 -0.02295471 Cs 11.22689261 26.10189823 0.01321865 -0.02596253 -0.01847698 -0.01981370 Cs 11.14344115 22.29793797 3.76052410 -0.02339329 0.01501593 -0.00702366 Cs 7.36806706 25.97449842 3.76241582 0.02441455 0.01650550 -0.01314215 Cs 14.86032750 22.24365493 0.03835086 -0.00756006 0.03046510 -0.02670200 Cs 18.62480852 26.08253474 0.02252532 -0.01579419 -0.01358117 -0.01750449 Cs 18.60116248 22.30810220 3.69416422 -0.01738419 0.01560594 0.03238284 Cs 14.85039245 26.06443179 3.66902053 0.02173719 -0.01788151 0.02314066 Cs 22.29308539 22.27487545 0.06161323 0.00924519 0.01735592 -0.03905679 Cs 26.09606848 25.95148206 0.01485200 -0.01002895 0.01396639 -0.02306151 Cs 26.04334408 22.36810740 3.78222701 0.01370740 -0.02598670 -0.00979444 Cs 22.36943124 25.96574400 3.70581566 -0.01171576 0.01638046 0.00912568 Cs 29.74427727 22.32334055 0.05703043 -0.00455053 -0.01238125 -0.01942543 Cs 33.53674930 25.99570263 0.04582141 -0.02983701 0.00820293 0.01058002 Cs 33.45333895 22.33489097 3.65251572 0.02182577 -0.00474396 0.03220380 Cs 29.75763834 26.03774007 3.76049238 -0.00130251 0.02063663 -0.01645476 Cs 0.02742215 29.77731194 0.01976360 0.00898860 -0.02244342 0.01497467 Cs 3.64684622 33.51733069 0.07789593 0.02745397 -0.00658317 -0.00020075 Cs 3.75275978 29.78953286 3.65300448 0.01191294 -0.01900619 0.02952513 Cs 0.05202761 33.43853631 3.74902167 0.00683052 -0.00586882 0.03087750 Cs 7.46755659 29.77442363 0.00429836 -0.01339196 -0.01338674 -0.01618163 Cs 11.18173841 33.41345876 0.02447824 -0.00155296 -0.01289481 -0.00420362 Cs 11.12292567 29.70488601 3.75712356 -0.01827896 0.01795992 0.00821278 Cs 7.43579589 33.54361712 3.66102499 0.00918510 0.01335361 0.03021760 Cs 14.84545045 29.72541575 0.05404184 0.02068471 0.01637796 -0.01930295 Cs 18.63019847 33.52725611 0.01939146 -0.00657630 -0.03263390 0.00515888 Cs 18.65253557 29.80109787 3.78418408 -0.01397915 -0.01052570 -0.01013834 Cs 14.80527746 33.52587168 3.64768209 0.01956374 0.00291248 0.03641585 Cs 22.35622489 29.69155027 0.06427443 -0.00309932 -0.00814165 -0.03324039 Cs 25.99098065 33.37181137 0.01071490 0.00508881 0.01113191 0.01102337 Cs 26.01858411 29.74680247 3.68888328 -0.00474458 -0.01188876 0.03085212 Cs 22.25707959 33.48254278 3.65356352 0.01820968 0.02143144 0.04330581 Cs 29.69431483 29.79285640 0.02079659 0.01155110 -0.02703923 -0.01227008 Cs 33.42682473 33.49799006 0.06461207 -0.03286290 -0.02678937 0.03437669 Cs 33.50182642 29.75734472 3.66673212 0.00700040 -0.01582767 0.01385141 Cs 29.79292230 33.48569935 3.78491279 -0.02871219 0.01065268 -0.01805329 Cs 0.01614280 0.04307931 7.37969114 0.00280541 0.00593665 0.01087914 Cs 3.73144047 3.69238865 7.43598179 -0.00949581 0.01382781 0.01675200 Cs 3.67843326 0.06544194 11.20464719 0.02104105 -0.03188998 -0.02107402 Cs 0.00931150 3.78742144 11.13324071 -0.01510515 0.00739099 0.00292035 Cs 7.44998809 0.06726160 7.40916099 -0.01407791 -0.03536737 0.00634883 Cs 11.10261491 3.73521410 7.44094879 0.01990530 0.02725700 -0.01061024 Cs 11.10714848 0.07097425 11.02618760 0.01486901 -0.03490017 0.01695109 Cs 7.42009841 3.69632439 11.21071189 -0.00442504 0.03383719 -0.02994274 Cs 14.82628730 0.03033358 7.39797438 0.01224694 -0.02462110 -0.01065515 Cs 18.53767092 3.73763663 7.37271951 0.03415778 0.00493872 0.01895383 Cs 18.62595380 0.02123232 11.19382050 -0.00318902 -0.01187935 0.00405612 Cs 14.92734168 3.66081545 11.18473091 -0.00579955 0.02120346 -0.01921455 Cs 22.24201020 0.01779648 7.38157662 0.00616317 -0.01642221 0.00312839 Cs 26.00174364 3.71610510 7.35164567 0.00667670 0.01469920 0.01533564 Cs 26.09767774 0.02880837 11.20921629 -0.01990352 -0.01926600 -0.00865313 Cs 22.35408678 3.77875626 11.14362372 -0.02262957 -0.01551552 -0.00835663 Cs 29.73681781 0.07318691 7.40341755 -0.01696022 -0.03235252 -0.01704145 Cs 33.47693493 3.67239996 7.43266560 0.02067196 0.02491539 -0.00887302 Cs 33.41624837 0.04887640 11.10669541 -0.01405578 -0.00296653 0.00317140 Cs 29.78359551 3.67627262 11.15971056 -0.01957701 0.04061682 -0.00956218 Cs 0.00481704 7.48959469 7.43542292 -0.00974882 -0.01390117 0.00201691 Cs 3.71406863 11.23093464 7.45573009 0.01898644 -0.02550993 -0.01685572 Cs 3.78189957 7.50129360 11.11977151 -0.02012494 -0.02484842 -0.00822851 Cs 0.04250113 11.22131619 11.17050513 -0.01760706 -0.01196586 -0.00365347 Cs 7.36771785 7.37574486 7.35507296 0.00478832 0.02072176 0.01632463 Cs 11.10569168 11.11203653 7.50665952 0.01638046 0.01020742 -0.01653902 Cs 11.15246610 7.41926322 11.09015590 -0.00778116 -0.00971089 0.00996989 Cs 7.37112081 11.13582725 11.14262036 0.00693429 0.00563712 0.01179432 Cs 14.94318803 7.42859372 7.44032530 -0.02463377 -0.00101554 0.00577327 Cs 18.59323579 11.12404664 7.46852972 0.00388430 0.01344055 -0.02234918 Cs 18.53313131 7.45972362 11.15494817 0.03105533 -0.02332840 0.00494583 Cs 14.94383174 11.11422578 11.21476390 -0.01466980 0.02729223 -0.01527739 Cs 22.35826383 7.48442989 7.41924403 -0.03328497 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11.09052467 -0.01922359 -0.01426990 0.02290129 Cs 7.42763079 18.66615354 11.11224661 -0.00114351 -0.01032644 0.00919680 Cs 14.86529826 14.94718749 7.47791247 0.02708641 -0.01959460 -0.00304668 Cs 18.64548941 18.67431157 7.48356550 -0.02179390 -0.00423040 -0.02428033 Cs 18.65148896 14.95221343 11.12091937 -0.03224513 -0.00287049 0.00045759 Cs 14.81368504 18.66281025 11.19598433 0.02356538 -0.00595859 -0.02996127 Cs 22.27444520 14.90705912 7.38806501 0.01734204 -0.00528051 -0.00400480 Cs 26.02787899 18.60568543 7.40737303 -0.01732115 0.00685004 0.00894265 Cs 26.05318627 14.81291687 11.20706247 -0.02082441 0.01788128 -0.02423209 Cs 22.27976556 18.62107568 11.20197149 0.03040807 0.00363025 -0.00882595 Cs 29.68719055 14.89097386 7.54915052 0.01183937 -0.01057402 -0.01716538 Cs 33.49503995 18.61493244 7.46217551 0.01567954 -0.00213182 -0.00654245 Cs 33.49715829 14.82182101 11.11382491 0.00807068 0.00333184 0.00604562 Cs 29.71102334 18.66774428 11.12153783 0.00868674 -0.02898252 0.00161131 Cs 0.01160753 22.24216969 7.34178569 -0.01538215 0.00911930 0.00646915 Cs 3.75239187 26.01637918 7.48602266 -0.01936418 0.01741243 -0.03587214 Cs 3.67813238 22.33440642 11.08444367 0.00450917 -0.02437548 0.01022464 Cs 0.05589899 26.09094757 11.08343185 -0.03817265 -0.01990642 0.00385711 Cs 7.38162836 22.33104669 7.46084766 0.02496777 -0.00929308 -0.01270826 Cs 11.16236126 26.07650463 7.43223215 -0.01402382 -0.01427893 -0.00036132 Cs 11.09762350 22.30025214 11.14326967 0.02030566 0.02137851 -0.02423811 Cs 7.38472026 25.99223755 11.10024658 0.00277404 0.00898613 0.01734805 Cs 14.83946649 22.36758011 7.40639678 0.01101867 0.00024509 0.00754409 Cs 18.64423660 26.09754003 7.45348019 -0.02742334 -0.01825425 -0.01663035 Cs 18.55904587 22.36402077 11.09945629 0.00548520 -0.00872762 0.01275079 Cs 14.88273836 26.06028487 11.20230165 -0.01400806 -0.01336184 -0.00744185 Cs 22.29038892 22.37206204 7.42099999 0.01655961 -0.00653539 0.01290802 Cs 26.07333576 26.03271667 7.39644839 -0.01754232 0.00740148 0.02457258 Cs 26.08159779 22.32311220 11.22748701 -0.01144596 0.00711382 -0.02988039 Cs 22.25288603 26.00815736 11.19640039 0.02338684 0.00342689 -0.00307257 Cs 29.78127283 22.37875556 7.43898907 -0.00813826 -0.01845994 -0.00143162 Cs 33.43718398 26.02362107 7.39835377 0.02679854 0.01132249 0.01249557 Cs 33.44591239 22.26877830 11.20158539 0.02047522 0.01717707 -0.00767922 Cs 29.69616435 26.10133289 11.16100186 0.01913069 -0.01797166 0.00232157 Cs 0.03714630 29.77273918 7.39843820 -0.00814928 -0.01311059 -0.01485372 Cs 3.76624217 33.52789217 7.47153941 0.01530434 0.00742814 -0.02191327 Cs 3.64853694 29.68380918 11.19922770 0.05088336 0.00639251 0.00308854 Cs 0.11935446 33.41012880 11.08631410 -0.00240799 -0.00618734 0.00692759 Cs 7.40572639 29.74086184 7.44709203 -0.00797347 0.00785103 -0.00749852 Cs 11.18997934 33.45671175 7.50812058 -0.01893707 0.01517846 -0.01538408 Cs 11.12556460 29.69534423 11.12735632 0.00265863 -0.00533758 0.00012064 Cs 7.41011262 33.46841750 11.15550535 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