500 Lattice="42.74729995853793 0.0 0.0 0.0 42.74729995853793 0.0 0.0 0.0 42.74729995853793" Properties=species:S:1:pos:R:3:forces:R:3 energy=-243.37105581394783 stress="-3.167683105216215e-05 -1.9897926649637813e-06 9.609462072382664e-08 -1.9897926649637813e-06 -3.2008120870555754e-05 -1.1454213162677955e-06 9.609462072382664e-08 -1.1454213162677955e-06 -3.3581499891294756e-05" free_energy=-243.37105581394783 pbc="F F F" Cs 0.02780433 0.04636588 0.06730656 -0.05552054 -0.04893791 -0.05528499 Cs 4.33320458 4.21274644 0.02886935 0.04239114 0.06842578 -0.10188301 Cs 4.19647429 0.04542859 4.22436516 0.06493507 -0.10731933 0.06067684 Cs 0.00933359 4.29885935 4.25399503 -0.10993260 0.04797314 0.04825538 Cs 8.47165092 0.06394782 0.04812418 0.02222226 -0.07548130 -0.06232606 Cs 12.80761440 4.19811203 0.01445983 -0.00294744 0.07573939 -0.08939731 Cs 12.89972123 0.06604236 4.21730368 -0.00598039 -0.08373920 0.08030405 Cs 8.54529198 4.29280603 4.32120715 0.02105572 0.06443588 0.06300266 Cs 17.11625001 0.00621631 0.02797100 0.00905216 -0.06744696 -0.06225840 Cs 21.29540619 4.29810327 0.07505435 0.02232849 0.05051448 -0.09365551 Cs 21.44332691 0.07840168 4.33272973 -0.01741734 -0.08656311 0.05591142 Cs 17.15091653 4.33890226 4.19927470 -0.00783152 0.06113201 0.10692545 Cs 25.56991903 0.03334989 0.03993337 0.00245789 -0.06370772 -0.07040909 Cs 29.95224414 4.21842774 0.05690733 -0.02765217 0.06476736 -0.08649717 Cs 29.85900963 0.05553901 4.35052603 0.00895588 -0.09403140 0.04617031 Cs 25.71881787 4.22319018 4.23726633 -0.00989565 0.09926435 0.07846489 Cs 34.17584670 0.07416223 0.04534989 -0.03879701 -0.08291787 -0.07531746 Cs 38.46028157 4.26244120 0.08419006 0.08013446 0.04009625 -0.08592242 Cs 38.39586014 0.05398422 4.27626219 0.07843794 -0.08934159 0.04218789 Cs 34.26766420 4.25862327 4.32683183 -0.08657083 0.06484351 0.07429512 Cs 0.05740413 8.50717348 0.02124327 -0.06619363 0.00402447 -0.07586361 Cs 4.22488652 12.77935104 0.07974994 0.05476475 0.00575977 -0.09122790 Cs 4.19051473 8.47194485 4.35048669 0.09177561 0.02489403 0.05962271 Cs 0.05043030 12.75105930 4.19331044 -0.09095038 0.01786676 0.06708177 Cs 8.45404769 8.66094082 0.02750528 0.02573898 -0.01180043 -0.07305984 Cs 12.88392773 12.77091235 0.03306798 -0.00828756 0.00868417 -0.07011720 Cs 12.82689762 8.47768294 4.19817014 0.00988622 0.02965069 0.09724043 Cs 8.59211614 12.71562088 4.20945031 0.02047722 0.01717267 0.10858301 Cs 17.17595414 8.56569736 0.02175833 -0.01349020 0.01435856 -0.07345520 Cs 21.45035377 12.74095222 0.04601552 -0.02355604 0.02517990 -0.06841804 Cs 21.50717152 8.51893589 4.20399341 -0.01888406 0.02709260 0.12338781 Cs 17.09030743 12.79021989 4.20394528 0.01189164 0.00613501 0.10788778 Cs 25.63698978 8.67225985 0.05481241 0.01624701 -0.02309118 -0.07701050 Cs 29.93967798 12.75460249 0.00146930 -0.00734173 0.02238535 -0.05877025 Cs 29.92980361 8.49056082 4.35143421 -0.02108312 0.01852277 0.07252510 Cs 25.66449704 12.74060722 4.28693966 -0.00062400 0.03163787 0.10111227 Cs 34.13909983 8.48558254 0.08128321 -0.04521219 0.01511174 -0.08842592 Cs 38.43487321 12.81160874 0.05455337 0.05938678 -0.00038166 -0.06736052 Cs 38.47786361 8.51676670 4.27539938 0.08370778 0.02601194 0.05168737 Cs 34.21831745 12.75015585 4.22401200 -0.08157741 0.01641381 0.08381351 Cs 0.08129749 17.18085441 0.08211864 -0.07469778 -0.01442162 -0.06967422 Cs 4.23913564 21.32258166 0.00109080 0.07582299 0.01484704 -0.07685298 Cs 4.32457320 17.02005839 4.22221980 0.07753170 0.00916647 0.10085552 Cs 0.02165681 21.39815349 4.22149176 -0.07729335 -0.00054059 0.07627783 Cs 8.46714309 17.07999569 0.03163178 0.03675250 0.00219800 -0.06523829 Cs 12.89973890 21.31937965 0.02948935 -0.01740115 0.01274237 -0.06093410 Cs 12.77473791 17.06243247 4.28808512 0.00886740 0.00453841 0.09148652 Cs 8.58348753 21.44494419 4.30178301 0.01129788 -0.01885046 0.07731209 Cs 17.01517922 17.07689044 0.04807396 0.01821921 -0.00610153 -0.05723160 Cs 21.32812413 21.28463670 0.02732210 0.00628064 0.01347290 -0.06230924 Cs 21.41500383 17.08231213 4.20534696 -0.02350047 -0.00426845 0.10828375 Cs 17.03115353 21.45648736 4.26460905 0.01778892 -0.01942230 0.10144326 Cs 25.59874604 17.01362388 0.04268450 0.01830090 0.00877265 -0.06303556 Cs 29.98542468 21.33769436 0.02322764 -0.03027303 0.00767733 -0.05696833 Cs 29.97294911 17.11587676 4.27639822 -0.03568848 -0.01349645 0.07786707 Cs 25.57638493 21.30895960 4.27581359 0.01689797 0.01200316 0.07768024 Cs 34.25952798 17.21432921 0.04202991 -0.06653328 -0.02739703 -0.08191952 Cs 38.42517180 21.35270274 0.08459608 0.06909229 0.01403127 -0.06963111 Cs 38.51523312 17.13498107 4.23375935 0.08144393 -0.01235109 0.06772247 Cs 34.21173297 21.32362694 4.35648082 -0.08011566 0.01676023 0.06741613 Cs 0.04215772 25.60276274 0.02707802 -0.07386573 -0.00030265 -0.07066580 Cs 4.19878365 29.82150617 0.02653743 0.07355915 0.00937839 -0.07735160 Cs 4.23949882 25.68000819 4.24147591 0.08748072 -0.02683638 0.08421221 Cs 0.04853704 29.83008693 4.35677245 -0.09670988 0.00462120 0.03931918 Cs 8.55062766 25.67610811 0.05537804 0.01561686 -0.02179016 -0.07655298 Cs 12.77047776 29.92509289 0.03478634 0.02329306 -0.01807409 -0.06956297 Cs 12.74390907 25.70724397 4.30978242 0.03658256 -0.01846914 0.07434296 Cs 8.65175105 29.79581156 4.31464357 -0.00517841 0.02320248 0.08039013 Cs 17.17572477 25.64230207 0.07293208 -0.01371530 0.00930029 -0.05542170 Cs 21.41124124 29.86107532 0.05849067 -0.01515396 -0.00535010 -0.06322040 Cs 21.41202476 25.63467936 4.31980607 -0.01228387 -0.01161540 0.07401105 Cs 17.03479702 29.98992564 4.35131164 0.02162416 -0.03758198 0.05490334 Cs 25.71702665 25.65871534 0.06812588 -0.00559277 -0.02253990 -0.06886153 Cs 29.98449375 29.98889993 0.02208462 -0.02673677 -0.01169720 -0.06181706 Cs 29.93251895 25.66671883 4.30598136 -0.02627534 -0.01873601 0.08453911 Cs 25.59407470 29.79486637 4.23512625 0.01304724 0.01528397 0.10341906 Cs 34.22626230 25.72904197 0.02847722 -0.06748356 -0.02154771 -0.08596441 Cs 38.53465533 29.86758580 0.01976028 0.06092598 0.01390716 -0.06091760 Cs 38.39159510 25.69316579 4.20443339 0.09627763 -0.01624853 0.06070823 Cs 34.25077970 29.79357877 4.34333877 -0.07971047 0.01927047 0.05926923 Cs 0.05942984 34.11592977 0.02690970 -0.07278112 -0.03408195 -0.06823037 Cs 4.35305092 38.38846978 0.04175934 0.03241812 0.07560734 -0.07719613 Cs 4.29835511 34.23257993 4.35016704 0.07584145 -0.08928907 0.04433169 Cs 0.05263639 38.43646022 4.23923398 -0.07532421 0.08114016 0.03196623 Cs 8.58434060 34.17513381 0.04105878 0.01199747 -0.06082127 -0.06789471 Cs 12.83405122 38.52847553 0.04704941 -0.00680112 0.05751270 -0.06208776 Cs 12.96332408 34.19281167 4.31476521 -0.03346229 -0.07198119 0.06895959 Cs 8.57613051 38.43096830 4.33627841 0.02181343 0.08022822 0.04089668 Cs 17.09704558 34.22502747 0.00348355 0.00512510 -0.07141170 -0.08515376 Cs 21.29163209 38.49862827 0.06227573 0.00415810 0.06666536 -0.06140919 Cs 21.39356477 34.19083189 4.31121819 -0.00687056 -0.07957254 0.07796536 Cs 17.05107509 38.40756889 4.23540598 0.00999326 0.08893243 0.07126431 Cs 25.55452590 34.27513501 0.05097823 0.01328438 -0.06792395 -0.07786394 Cs 29.90095686 38.52423795 0.06803477 -0.01044675 0.05872797 -0.05940854 Cs 29.98728897 34.17962958 4.32488978 -0.04131408 -0.07577681 0.06298814 Cs 25.60904720 38.38890024 4.30107778 -0.00203275 0.08048396 0.06291280 Cs 34.20583051 34.25789925 0.03691134 -0.03426061 -0.05298544 -0.08869558 Cs 38.55305061 38.52835678 0.05594761 0.03838644 0.03848595 -0.03803855 Cs 38.41928445 34.25936964 4.35974566 0.09083197 -0.06110848 0.02414634 Cs 34.19081929 38.48280196 4.33836434 -0.04204151 0.10011198 0.03960452 Cs 0.05203081 0.06873066 8.51679760 -0.07414245 -0.07311259 0.01561096 Cs 4.23699957 4.23172973 8.49014814 0.08263779 0.09317980 0.04057578 Cs 4.31005064 0.05651231 12.77159237 0.03436512 -0.07981604 0.02096591 Cs 0.00399311 4.31217338 12.76588601 -0.07943335 0.04793888 0.01519668 Cs 8.47085846 0.04183737 8.64381771 0.02916513 -0.06989075 -0.01313529 Cs 12.79203848 4.23587665 8.55186527 0.01754466 0.07915740 0.01049582 Cs 12.75155365 0.07931867 12.78472974 0.01038195 -0.06886857 0.01421876 Cs 8.53838712 4.33940040 12.88463749 0.00979530 0.08134881 -0.01322125 Cs 17.18315739 0.00883309 8.68283488 -0.01295930 -0.05296295 -0.01146543 Cs 21.45898239 4.27909252 8.51727778 -0.01915883 0.08784084 0.01868130 Cs 21.30510785 0.04034003 12.86476503 0.02309709 -0.05992545 -0.00465731 Cs 17.06244136 4.26768314 12.87085521 0.01276689 0.09548900 -0.00851974 Cs 25.70311934 0.05724739 8.56899499 -0.01710808 -0.07328133 0.03138997 Cs 29.95250780 4.21487409 8.58486194 -0.02003471 0.10142437 0.02338149 Cs 29.95387928 0.07046104 12.79979638 -0.03395005 -0.07414720 0.00847087 Cs 25.57661303 4.34372284 12.76572489 0.01963419 0.05823567 0.01215141 Cs 34.25363427 0.01859021 8.69014362 -0.05310402 -0.08339028 -0.00944220 Cs 38.55650860 4.33569050 8.47746154 0.07903680 0.05034880 0.03935574 Cs 38.45204272 0.07857204 12.84030848 0.07654466 -0.06598180 -0.00268985 Cs 34.18976338 4.24128391 12.86793850 -0.07533552 0.10804136 -0.01590097 Cs 0.00636070 8.59490773 8.52872921 -0.07628032 0.00777850 0.02365789 Cs 4.24268194 12.73349659 8.56952908 0.09835058 0.02146142 0.01634607 Cs 4.24064973 8.61967029 12.88316624 0.09877494 0.00154276 -0.02037512 Cs 0.06395208 12.79799056 12.83386702 -0.07033606 0.02461609 -0.00537926 Cs 8.57635539 8.52788184 8.47127045 0.02152837 0.03542015 0.04087618 Cs 12.96808130 12.90635961 8.61102339 -0.02261278 -0.01410360 0.00242732 Cs 12.79149596 8.46856029 12.76457604 0.01058395 0.04101149 0.00966962 Cs 8.63035198 12.74089628 12.85906235 0.01592961 0.01568674 -0.00971670 Cs 17.08724967 8.49460390 8.54927546 0.01222141 0.02526105 0.01294746 Cs 21.31861509 12.88031254 8.56958132 0.01639034 -0.01437390 0.01935074 Cs 21.45095038 8.47593029 12.75146324 -0.02641486 0.05684950 0.01045922 Cs 16.96446805 12.74796923 12.81171162 0.02830840 -0.00333481 0.02449425 Cs 25.70166617 8.59847818 8.60889533 -0.02360754 0.01810750 0.00301634 Cs 29.83956093 12.78519142 8.50792925 -0.00550783 0.02602110 0.02247085 Cs 29.80637675 8.66932088 12.78148318 0.02877405 -0.00783752 0.01644849 Cs 25.71155504 12.79868619 12.97702917 -0.04706295 0.01992858 -0.02792311 Cs 34.19563716 8.52605918 8.59817907 -0.08035330 0.02382280 0.02741880 Cs 38.45517087 12.81061344 8.51849852 0.06661304 -0.00020266 0.01680093 Cs 38.40553653 8.60159685 12.90970518 0.06108790 0.01856719 -0.01260760 Cs 34.18601395 12.92652001 12.77525943 -0.08385593 -0.01364062 0.01930277 Cs 0.04306858 17.10613713 8.49916521 -0.06277595 -0.00719926 0.01820657 Cs 4.29269218 21.30079855 8.51889175 0.08303953 0.01525456 0.01308866 Cs 4.35685190 17.15658045 12.75220565 0.06919604 -0.01664957 0.01350069 Cs 0.02061060 21.43264286 12.79555349 -0.06247784 -0.01260145 0.00569740 Cs 8.56926228 16.98436299 8.56575870 0.03657484 0.01335257 0.02725244 Cs 12.89163070 21.44140967 8.47719656 -0.00617740 -0.01824703 0.05278844 Cs 12.93982576 17.11530327 12.95149664 -0.02345899 0.02077882 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25.58520883 12.88890773 0.00375040 0.02112998 -0.01598364 Cs 25.58213807 29.93548858 12.69685512 0.01449727 -0.03774999 0.02658066 Cs 34.28037135 25.64059472 8.53361878 -0.10987691 0.00005024 0.03592547 Cs 38.52765881 29.94528011 8.49209684 0.07278695 -0.01687502 0.02734872 Cs 38.48183025 25.56103351 12.74051159 0.06476087 0.00949185 0.02140098 Cs 34.28240662 29.90750685 12.77049740 -0.09038206 -0.02739434 0.01183415 Cs 0.06277443 34.27359125 8.48955652 -0.09352512 -0.07117519 0.02594662 Cs 4.35051834 38.47353291 8.56148287 0.04902304 0.09176869 0.01399049 Cs 4.22537196 34.19361556 12.76587508 0.09496225 -0.08895531 0.02553544 Cs 0.06456865 38.46787772 12.73665483 -0.06629256 0.06464637 0.00983091 Cs 8.56420095 34.20270484 8.54745185 0.03169418 -0.10003996 0.02697001 Cs 12.77089667 38.47185184 8.57915301 0.01422326 0.06030886 0.01571712 Cs 12.79639310 34.13949242 12.92634511 0.00496353 -0.07400859 -0.02033528 Cs 8.60134433 38.53660091 12.79651731 0.00298857 0.04904029 0.01244070 Cs 17.08607868 34.26765935 8.57935799 -0.00214333 -0.08670985 0.02724010 Cs 21.29708486 38.49349883 8.62654190 0.00467836 0.06956548 -0.00252969 Cs 21.38970286 34.12781422 12.74615437 -0.02022485 -0.06971177 0.04209577 Cs 17.08968107 38.44825656 12.77039309 0.00090937 0.05546481 0.01892421 Cs 25.57472580 34.22827943 8.66511269 0.00922486 -0.09490027 -0.02417241 Cs 29.91378636 38.51540014 8.52155533 -0.01582650 0.07044223 0.01398535 Cs 29.94746110 34.27479090 12.73204925 -0.01450945 -0.09489075 0.02350775 Cs 25.65768034 38.38818133 12.73891538 -0.00955355 0.07276757 0.03045009 Cs 34.17384867 34.21077523 8.57954144 -0.06278749 -0.07113337 0.01925517 Cs 38.52627027 38.41023122 8.55554976 0.05992419 0.07549553 0.01438013 Cs 38.48744683 34.26046635 12.77076653 0.07529629 -0.06994256 0.02032822 Cs 34.18270199 38.51432363 12.87053990 -0.05710947 0.07809258 -0.00426474 Cs 0.03536072 0.00377002 17.23220737 -0.05285083 -0.05630693 -0.01786383 Cs 4.25163098 4.32251960 17.02331653 0.07132656 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0.01791636 0.01050995 0.07210601 Cs 17.01186612 17.05363126 34.14878907 0.02497117 0.02683616 -0.08014191 Cs 21.45029541 21.40053863 34.15192481 -0.01491329 -0.02367227 -0.07679635 Cs 21.39583356 17.15896720 38.45909604 -0.01216801 -0.00022292 0.05081390 Cs 17.09403575 21.42494030 38.44160782 0.02025469 -0.00057360 0.05145488 Cs 25.73303189 17.17878165 34.23661894 -0.01520062 -0.01241878 -0.08457888 Cs 29.92121993 21.45800954 34.23618972 -0.00785994 -0.01369969 -0.09638834 Cs 29.87575288 17.15499563 38.45116577 -0.00226290 -0.02355080 0.06366353 Cs 25.69739752 21.45767068 38.48216416 -0.01652490 -0.00122987 0.06564924 Cs 34.17434176 17.16853120 34.22392390 -0.08263000 -0.00413288 -0.07552311 Cs 38.53686897 21.31663655 34.24609037 0.06392166 0.00855409 -0.06525486 Cs 38.52385100 16.97604159 38.47678331 0.04761356 0.00484421 0.05832609 Cs 34.22471110 21.45673332 38.52697019 -0.04836234 -0.02214504 0.07336923 Cs 0.04578544 25.65129267 34.26524441 -0.08740456 0.01732768 -0.07063318 Cs 4.33718852 29.96370106 34.12633162 0.06275116 -0.01896111 -0.05438633 Cs 4.26504866 25.56635100 38.39758325 0.07169070 0.02186476 0.08171710 Cs 0.07721354 30.00992544 38.55238681 -0.05253446 -0.01223457 0.05216733 Cs 8.62014267 25.53462085 34.12397352 0.01561643 0.02104959 -0.06460689 Cs 12.87781312 29.92726572 34.17261458 -0.01094957 -0.02736115 -0.07472765 Cs 12.83949420 25.62388568 38.49671920 0.00351626 0.01262740 0.05526923 Cs 8.53139371 29.90657138 38.40843894 0.02226260 -0.02057391 0.06086568 Cs 17.17605206 25.60139109 34.11525710 -0.01983135 0.00394851 -0.05244964 Cs 21.35474862 29.86980240 34.25454594 0.01762399 -0.01199287 -0.11012823 Cs 21.41033494 25.71612576 38.38722861 -0.01071798 -0.02443726 0.07209593 Cs 17.16426982 29.95428523 38.43465259 -0.02023121 -0.04049073 0.06882008 Cs 25.67080483 25.71249470 34.24757896 -0.00698254 -0.00547531 -0.10678109 Cs 29.93247836 29.92473669 34.25966949 -0.02703792 -0.01939498 -0.08896621 Cs 29.99436354 25.63075240 38.39685067 -0.02824723 0.00926686 0.07532997 Cs 25.58578666 29.94921440 38.50394923 0.01978083 -0.01619853 0.06969061 Cs 34.27873026 25.70283376 34.23219486 -0.06596530 -0.01318026 -0.08119792 Cs 38.54255385 29.92523857 34.25205493 0.07368757 -0.02323681 -0.06200251 Cs 38.52968593 25.56472590 38.54516752 0.05591557 0.01382208 0.05568568 Cs 34.11267782 29.96079133 38.53280277 -0.02898046 -0.02643650 0.08206718 Cs 0.02022420 34.24081157 34.12207210 -0.09048079 -0.05169333 -0.03890252 Cs 4.34271251 38.49884848 34.12505387 0.03247915 0.09743383 -0.03898816 Cs 4.32799361 34.28027614 38.41573916 0.03714614 -0.05883466 0.09088936 Cs 0.00245120 38.43877781 38.48768074 -0.04031489 0.04308635 0.03755792 Cs 8.63480195 34.25181535 34.26124803 0.02342224 -0.09129570 -0.08797084 Cs 12.74846704 38.51823388 34.18299486 0.01798271 0.07673170 -0.04722692 Cs 12.95314032 34.23110755 38.54690367 -0.01542275 -0.05698768 0.07641514 Cs 8.50122057 38.44819598 38.44017595 0.02241433 0.07099586 0.07377237 Cs 17.08829043 34.17130839 34.25279200 -0.00752707 -0.05332117 -0.08393894 Cs 21.39413996 38.44415518 34.23703943 -0.01273825 0.07724459 -0.07375109 Cs 21.32739199 34.11605226 38.40320459 0.00123068 -0.03856959 0.08828203 Cs 17.11363412 38.52137618 38.41834383 0.00133054 0.06404551 0.05851722 Cs 25.67853113 34.20646275 34.27147727 -0.00867699 -0.09354428 -0.08826875 Cs 29.88285777 38.39921669 34.26585627 -0.00445178 0.08560669 -0.05376260 Cs 29.98047612 34.22971234 38.54738726 -0.03027076 -0.05207725 0.08270647 Cs 25.50509531 38.41974517 38.42933588 0.00987466 0.06359691 0.07597805 Cs 34.24258501 34.14783276 34.23308281 -0.07057152 -0.06468399 -0.07395592 Cs 38.42293450 38.42663285 34.11493962 0.07992091 0.07337818 -0.02224207 Cs 38.46680846 34.17545932 38.43430704 0.07520205 -0.03011366 0.07810782 Cs 34.20438819 38.46506795 38.52111504 -0.02871848 0.07444978 0.06623235