500 Lattice="43.109099428179206 0.0 0.0 0.0 43.109099428179206 0.0 0.0 0.0 43.109099428179206" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.62521138045645 stress="-3.528312448416592e-05 -2.0190914171109854e-06 -4.4002752177313087e-07 -2.0190914171109854e-06 -3.510625280166511e-05 -8.762330603151735e-07 -4.4002752177313087e-07 -8.762330603151735e-07 -3.500638823606121e-05" free_energy=-228.62521138045645 pbc="F F F" Cs 0.03009576 0.07559662 0.03378661 -0.04642463 -0.04686140 -0.04596071 Cs 4.24525629 4.34761130 0.05305115 0.05022325 0.04440914 -0.09317190 Cs 4.37732817 0.03945383 4.24308528 0.04054209 -0.09050236 0.05864657 Cs 0.01938213 4.22911383 4.39109786 -0.08492020 0.06514065 0.03256703 Cs 8.64015478 0.02050407 0.00167450 0.00628774 -0.05558647 -0.06093210 Cs 12.89412168 4.28502633 0.02643389 0.00581193 0.06147555 -0.07560315 Cs 12.91956423 0.06657638 4.31099727 -0.00099855 -0.07531143 0.04805958 Cs 8.55777904 4.35314351 4.34663694 0.01809947 0.06230322 0.06277714 Cs 17.33158635 0.07176381 0.01601202 -0.00567510 -0.06206869 -0.05739001 Cs 21.53434181 4.37260877 0.07471254 0.00921671 0.05270132 -0.06784923 Cs 21.61525889 0.00577907 4.35557013 -0.00362957 -0.06264431 0.05479088 Cs 17.23949094 4.28393448 4.27970416 0.00372150 0.08477974 0.09138879 Cs 25.85970832 0.02474853 0.04270692 -0.00708531 -0.05581204 -0.05486294 Cs 30.13248873 4.26460617 0.02237134 0.00345912 0.07038298 -0.07940151 Cs 30.24236616 0.08535049 4.27968574 -0.02301638 -0.08080158 0.05604832 Cs 25.94792131 4.39144754 4.35001714 -0.01880416 0.06546799 0.06863943 Cs 34.48537350 0.08214454 0.03867434 -0.02782985 -0.06988960 -0.07291964 Cs 38.76116707 4.36746020 0.02693826 0.06237889 0.03756031 -0.06518688 Cs 38.82138536 0.00967540 4.28721286 0.06782367 -0.05958331 0.03813568 Cs 34.47142268 4.33721465 4.37575316 -0.05447328 0.06854074 0.04862890 Cs 0.04865879 8.71809164 0.00424901 -0.06278722 0.00139436 -0.05235325 Cs 4.33800850 12.98651637 0.05486066 0.05541466 0.00121507 -0.08292004 Cs 4.28908597 8.63929092 4.31384729 0.06629483 0.00708402 0.06654054 Cs 0.06797494 12.96234502 4.35184458 -0.08766842 0.00798676 0.05015968 Cs 8.54970631 8.61205660 0.07786706 0.03017973 0.02498582 -0.06476628 Cs 12.99248542 13.01322223 0.07128093 -0.00877578 -0.01200947 -0.04518915 Cs 12.87397932 8.54732825 4.36498693 0.01353454 0.03753714 0.07213911 Cs 8.62601081 12.97767706 4.36398247 0.04414361 -0.00418874 0.07384167 Cs 17.21893817 8.70258420 0.07778490 -0.01468683 -0.00433149 -0.06273935 Cs 21.48759455 12.84944800 0.00948426 0.01103808 0.03141277 -0.06285906 Cs 21.49010140 8.70704159 4.34790540 0.01244377 -0.01826344 0.06901641 Cs 17.31195894 12.84666617 4.37681288 -0.03667316 0.02829573 0.05826157 Cs 25.89718272 8.58358159 0.06465737 -0.00340069 0.02159114 -0.06206754 Cs 30.22652957 12.93269271 0.00164049 -0.03318810 0.00534136 -0.05985535 Cs 30.23872244 8.69367653 4.32418440 -0.03407209 0.01257524 0.08296038 Cs 25.78909950 12.86960674 4.27204654 0.01765857 0.02287239 0.08270542 Cs 34.51892440 8.78678081 0.05491467 -0.04615866 -0.01429673 -0.07477658 Cs 38.83283515 13.02023766 0.05467383 0.05502564 -0.00501712 -0.04945646 Cs 38.85578887 8.62250012 4.38412195 0.07438719 0.02178303 0.03648144 Cs 34.40139660 12.91394311 4.37165255 -0.04586572 0.02064795 0.05829044 Cs 0.02039537 17.29243503 0.06855790 -0.06077431 -0.00403407 -0.05551001 Cs 4.33741088 21.47891008 0.05371442 0.04317294 0.00753937 -0.08284803 Cs 4.39404384 17.15447203 4.27905619 0.04473929 0.01671610 0.08169137 Cs 0.00247194 21.60352340 4.32614861 -0.07458182 -0.00931189 0.05656533 Cs 8.70788416 17.29807199 0.06394474 0.01411971 -0.01621990 -0.06824715 Cs 12.85636597 21.62706609 0.06605387 0.00868172 -0.00447524 -0.06113731 Cs 13.03238829 17.31860262 4.33214790 -0.01006795 -0.02056678 0.09220878 Cs 8.59723960 21.52188153 4.23469092 0.02714481 0.01364308 0.10497294 Cs 17.16884563 17.37379570 0.02066340 0.01380011 -0.02353273 -0.06271946 Cs 21.50743932 21.59408095 0.04921931 0.01733786 -0.01813516 -0.06941195 Cs 21.49986462 17.24480124 4.31960570 0.01176434 -0.01110119 0.06570267 Cs 17.31790033 21.49871120 4.23693582 -0.01889187 0.02181330 0.10793554 Cs 25.93405164 17.30149145 0.03214213 -0.02800382 -0.01793561 -0.06054624 Cs 30.25182014 21.46887628 0.04512376 -0.03054902 0.02300190 -0.06368241 Cs 30.12593914 17.27918091 4.26085438 -0.01211869 -0.01806771 0.09558005 Cs 25.83654149 21.47094771 4.30509968 0.00383392 0.01432028 0.08877833 Cs 34.46470947 17.23255448 0.00660364 -0.04094497 -0.00673095 -0.06728839 Cs 38.79062397 21.53437573 0.00730350 0.05728380 0.00831190 -0.06260818 Cs 38.85391507 17.33084221 4.23229975 0.06343289 -0.00890309 0.05629119 Cs 34.48017611 21.60796473 4.26075095 -0.06455089 -0.01143458 0.09389532 Cs 0.03474231 25.91443302 0.07029141 -0.05744490 -0.00687903 -0.06889129 Cs 4.39429888 30.17952760 0.07049450 0.04634937 -0.00747743 -0.07767555 Cs 4.29245043 25.80165657 4.23718182 0.07580833 0.00758986 0.09429975 Cs 0.02525589 30.16830302 4.29373073 -0.07526732 -0.01454352 0.05738176 Cs 8.64903092 25.85077792 0.01631546 0.00560443 0.00469325 -0.06747212 Cs 13.00815363 30.16262313 0.03436141 -0.00385352 -0.02023213 -0.06821142 Cs 12.91236069 25.94650707 4.25218082 0.02039371 -0.02775481 0.09274583 Cs 8.67801409 30.11279097 4.32606148 0.00399972 -0.00090500 0.07325148 Cs 17.21592891 25.71859636 0.03074729 0.00240418 0.02168690 -0.05439455 Cs 21.40083338 30.21970112 0.00969291 0.01674947 -0.02318411 -0.04691168 Cs 21.63006913 25.80756207 4.26604850 -0.01453021 0.02548126 0.09674314 Cs 17.19748907 30.16015885 4.38622598 0.02714538 -0.03923651 0.08076534 Cs 25.81148787 25.81662517 0.00517907 0.00852608 0.00487399 -0.05356567 Cs 30.15893893 30.10085914 0.06322781 -0.01014436 -0.01552283 -0.07110959 Cs 30.15323132 25.90291229 4.35090574 -0.02842418 -0.01644086 0.07779532 Cs 25.90760569 30.23219012 4.33908513 -0.01037461 -0.03460720 0.06023064 Cs 34.45073765 25.78406487 0.07424574 -0.03673594 0.01537173 -0.07892254 Cs 38.86853597 30.19846188 0.00547693 0.04604281 -0.01838035 -0.05430772 Cs 38.85469202 25.84974001 4.37988219 0.06776916 0.00474205 0.04784418 Cs 34.47820323 30.15117633 4.26293241 -0.05375980 -0.01138044 0.07840709 Cs 0.00869727 34.46696378 0.05269688 -0.06331417 -0.02989550 -0.06514428 Cs 4.24392695 38.87496490 0.03567533 0.03993075 0.05796487 -0.07431392 Cs 4.37591624 34.53361774 4.29826922 0.05975868 -0.07109213 0.05302767 Cs 0.06990923 38.84940666 4.36488812 -0.07359437 0.06731055 0.02936494 Cs 8.73014621 34.44552945 0.06382631 -0.00239171 -0.04898922 -0.07832272 Cs 12.91460998 38.71617625 0.02048864 0.01083117 0.06164322 -0.05447833 Cs 12.97393984 34.43363097 4.39486999 -0.01627762 -0.05526266 0.07658316 Cs 8.59621320 38.76044257 4.24264827 0.02480925 0.07152656 0.07031707 Cs 17.17206435 34.41269710 0.08515900 0.01927804 -0.02455464 -0.06959653 Cs 21.69206893 38.83940816 0.06921836 -0.01800262 0.04095135 -0.06062109 Cs 21.60105138 34.49664912 4.39527959 -0.01948157 -0.07319156 0.04503527 Cs 17.27270399 38.77026631 4.34349197 0.00223259 0.06627749 0.03932606 Cs 25.93586639 34.41545382 0.01200393 -0.02162787 -0.04914771 -0.07248274 Cs 30.13581517 38.71792785 0.00668249 -0.01649224 0.06973692 -0.06034599 Cs 30.19727146 34.49254326 4.23855671 -0.01586339 -0.06888172 0.08563518 Cs 25.75786175 38.80432198 4.37160581 0.02365877 0.07535244 0.03714949 Cs 34.45771872 34.51295063 0.01574646 -0.03495665 -0.05335235 -0.09190221 Cs 38.73813531 38.85893422 0.05913928 0.04023632 0.04399716 -0.04363976 Cs 38.82462519 34.53116381 4.23729730 0.08222965 -0.04576716 0.05630166 Cs 34.40586495 38.84811221 4.29187861 -0.03514737 0.08876674 0.04767398 Cs 0.02113919 0.07417131 8.55901597 -0.05655046 -0.06515115 0.01621736 Cs 4.35571837 4.36276294 8.75068596 0.05509560 0.06434013 -0.01103374 Cs 4.30503321 0.06765580 12.82738008 0.04009372 -0.08570048 0.01524101 Cs 0.00028319 4.26772466 13.02162703 -0.07704825 0.05229521 -0.01342186 Cs 8.60578797 0.08143906 8.59603618 0.01719323 -0.07403458 0.00992342 Cs 12.84976691 4.34543211 8.65181956 0.02118709 0.08769946 0.01637365 Cs 12.95825098 0.08163312 12.87095572 -0.00248386 -0.05934575 0.01112657 Cs 8.55709434 4.25012172 12.92224743 0.03745681 0.10378562 0.01979834 Cs 17.16960652 0.04747015 8.57548954 0.01036978 -0.05326997 0.00968620 Cs 21.62722974 4.38415411 8.66515123 -0.01292986 0.06844998 0.00149618 Cs 21.48616856 0.02899300 12.83144800 0.00836586 -0.05941014 0.01110323 Cs 17.28732081 4.30564890 12.88113457 -0.00759305 0.08637335 0.00425610 Cs 25.94586784 0.02038737 8.54949207 -0.00655233 -0.05568280 0.02543274 Cs 30.14110980 4.38902517 8.68231951 -0.01558129 0.07576525 0.01863707 Cs 30.22687127 0.02001380 12.86318473 -0.02121521 -0.06730278 -0.00629746 Cs 25.79146495 4.30223185 12.98519512 0.00595595 0.08380287 -0.02105874 Cs 34.47784423 0.00651047 8.53660592 -0.03895026 -0.06974724 0.02315701 Cs 38.82323839 4.39330000 8.67802522 0.07226769 0.02265957 0.00607074 Cs 38.73825025 0.04361808 13.00221585 0.06490670 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0.01724327 0.02389847 0.03232455 Cs 30.23866173 13.07145606 8.70146809 -0.04355219 -0.01889909 0.00545606 Cs 30.21600506 8.61434039 12.93710609 -0.02630726 0.02941544 0.00560271 Cs 25.92145244 12.89406332 12.90631023 -0.01576148 0.00688086 0.01186217 Cs 34.54699847 8.61832232 8.55474900 -0.08688985 0.01880738 0.03773799 Cs 38.75975100 13.06361264 8.59035734 0.07101493 -0.01376457 0.01297340 Cs 38.77933829 8.55737513 12.90109162 0.05923235 0.02897186 0.01208104 Cs 34.50430263 12.88704042 12.85655360 -0.08023109 0.00902955 0.03194202 Cs 0.00853791 17.31130807 8.74740197 -0.05942680 -0.01076015 -0.01204483 Cs 4.27672315 21.49331148 8.53665346 0.08716573 0.02561693 0.02468730 Cs 4.30632489 17.36483748 12.90837218 0.08664350 -0.02921469 -0.00255120 Cs 0.02076970 21.44949151 13.02306014 -0.06449722 0.01820781 -0.00267644 Cs 8.58492200 17.30494814 8.57779798 0.04498943 -0.01620214 0.04109930 Cs 12.97633348 21.62439363 8.56080813 -0.00411150 -0.01949722 0.02466786 Cs 13.07358557 17.17231825 12.98781888 -0.03571633 0.02021229 -0.01336437 Cs 8.61745146 21.51943457 12.92412088 0.02528466 0.01126693 -0.00419009 Cs 17.21251988 17.16634719 8.60644823 0.00354674 0.02302899 0.02989661 Cs 21.49756688 21.57453299 8.57060463 0.01582950 0.00243178 0.03824053 Cs 21.58213920 17.38376810 12.89485205 0.00348362 -0.01469675 -0.00025979 Cs 17.24603993 21.59067145 13.01461313 0.00767208 -0.02413616 -0.00985526 Cs 25.81179839 17.19368763 8.65989234 -0.00663385 0.00657791 0.01807514 Cs 30.16821382 21.46004147 8.59522928 -0.02365471 0.01597214 0.01638939 Cs 30.16395583 17.35632093 12.90025687 -0.01800360 -0.02157106 0.01124816 Cs 25.91716462 21.70975139 13.03317629 -0.02181919 -0.01422546 -0.01952310 Cs 34.55767475 17.18090599 8.56877872 -0.08486950 0.02821875 0.02008739 Cs 38.78712808 21.47500386 8.63294065 0.05037098 0.00436575 0.02494275 Cs 38.75355382 17.15100088 13.03112893 0.04856742 0.00724430 -0.00438653 Cs 34.41022262 21.57832220 12.91113232 -0.05178259 -0.00449594 -0.00530718 Cs 0.02863684 25.88734210 8.77366726 -0.05282708 -0.00688451 -0.00057022 Cs 4.27010020 30.24095225 8.53995205 0.08620516 -0.04744302 0.03695443 Cs 4.24296376 25.77372951 13.00296086 0.10825387 0.01224936 -0.01691697 Cs 0.02718041 30.24265883 12.94168436 -0.05595556 -0.01106910 -0.00204222 Cs 8.68462271 25.93469252 8.57276926 -0.01323597 -0.02276900 0.03963891 Cs 12.91382494 30.12402268 8.60245179 0.01220816 -0.01194663 0.04170578 Cs 12.97224751 25.78151478 12.87751749 -0.00822381 0.01882398 0.01797892 Cs 8.74958731 30.20676708 13.00226372 -0.00806183 -0.04453912 -0.01076146 Cs 17.25147025 25.78115010 8.72417273 0.01414837 0.01779376 -0.01321749 Cs 21.70689722 30.26155480 8.58324043 -0.03019329 -0.04804743 0.02636623 Cs 21.48035465 25.87119090 13.00561255 0.02269347 -0.00926161 -0.02167489 Cs 17.31380508 30.17092849 12.89910377 -0.01801166 -0.01109809 0.01148111 Cs 25.91591139 25.91951162 8.61108439 -0.01068838 -0.02218371 0.02692493 Cs 30.19886376 30.23790556 8.70787714 -0.01606349 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12.90410121 0.02680116 0.07619813 0.00363390 Cs 17.20947169 34.40597787 8.67447440 0.01233279 -0.06647527 0.02060491 Cs 21.57791283 38.83662479 8.60271191 -0.02028044 0.05306982 0.02740320 Cs 21.59759787 34.53905725 12.95372099 -0.00583688 -0.07450221 -0.00477770 Cs 17.15986319 38.76470278 12.89441742 0.01842634 0.05565416 0.01196853 Cs 25.89901158 34.52782182 8.53780611 0.00845399 -0.08036736 0.04940149 Cs 30.13007074 38.76904962 8.57755564 -0.00724154 0.06051107 0.01885178 Cs 30.22250874 34.56773623 12.98748316 -0.02246159 -0.08856942 -0.01206249 Cs 25.81943816 38.87008544 12.84678448 0.00397874 0.05265547 0.01583062 Cs 34.53003569 34.55412187 8.56567628 -0.07886275 -0.08011224 0.01921245 Cs 38.72635679 38.82695915 8.67475775 0.06570338 0.06383533 -0.00982956 Cs 38.84981197 34.55379239 12.86839318 0.06699210 -0.04702103 0.01981174 Cs 34.52240244 38.87191224 12.87735324 -0.05920828 0.06491352 0.01953905 Cs 0.08274599 0.06900197 17.29046465 -0.05604954 -0.06512295 0.00018040 Cs 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Cs 30.20431066 13.00056460 34.55569816 -0.03316054 -0.02116747 -0.08532948 Cs 30.25871349 8.60366922 38.87627170 -0.03611037 0.00852635 0.04827142 Cs 25.78538747 12.98623310 38.73699491 0.01350623 -0.01680014 0.05229868 Cs 34.55954650 8.60762263 34.42288122 -0.07850050 0.02827094 -0.05744771 Cs 38.78155299 13.00651977 34.52076659 0.06753093 -0.00173079 -0.04972183 Cs 38.82537992 8.62658062 38.81160381 0.05622537 0.01332770 0.05146761 Cs 34.40953919 12.89906000 38.84561072 -0.03798758 0.00815205 0.07115111 Cs 0.03763178 17.18867386 34.43978323 -0.07819308 0.02477360 -0.03376516 Cs 4.32777732 21.60668639 34.46556740 0.05792739 -0.00751159 -0.05044074 Cs 4.33530933 17.16796698 38.79740548 0.04211512 0.02464757 0.06952622 Cs 0.01400095 21.52562034 38.88179289 -0.04735563 -0.00194243 0.04014567 Cs 8.56291075 17.32710108 34.47147349 0.03586781 -0.01552816 -0.08112771 Cs 13.04647671 21.59897441 34.49543209 -0.02039496 -0.00393639 -0.07691873 Cs 12.89055892 17.16106154 38.76611408 0.01151715 0.00723207 0.04730208 Cs 8.64782758 21.55289578 38.77131207 0.00685731 0.00639552 0.05428891 Cs 17.21694382 17.18057483 34.46183023 0.00063910 0.00290500 -0.06735016 Cs 21.50421802 21.57273741 34.51249533 0.00967122 0.00689108 -0.06809772 Cs 21.57178664 17.26318960 38.79699363 -0.01022766 0.01205377 0.05066869 Cs 17.18543558 21.59417621 38.85989310 0.01630446 -0.01700677 0.05197621 Cs 25.79238255 17.24285338 34.43833737 0.00750427 0.01156566 -0.07038930 Cs 30.25925816 21.51295365 34.40674240 -0.04916668 0.00030555 -0.07859342 Cs 30.09029728 17.34941686 38.73954788 -0.00416667 -0.01571606 0.06394354 Cs 25.94928168 21.50662538 38.85272895 -0.01942871 0.01402114 0.03935980 Cs 34.43949511 17.21141379 34.56863732 -0.05342543 0.01215772 -0.08455853 Cs 38.78133840 21.49852834 34.55322531 0.06342469 0.00465477 -0.05919265 Cs 38.76882631 17.26897967 38.87176118 0.04852169 -0.00381013 0.05812749 Cs 34.44829202 21.61589204 38.86359389 -0.04242258 -0.01099481 0.07334367 Cs 0.06162680 25.90981945 34.44541488 -0.08312751 -0.00459083 -0.04688408 Cs 4.35434491 30.07377857 34.42767268 0.05246350 0.00270845 -0.05597994 Cs 4.24028063 25.93086714 38.79454248 0.06427510 -0.01424197 0.07680707 Cs 0.00022793 30.15588436 38.82007206 -0.06111457 -0.00521703 0.05406985 Cs 8.56449156 25.92377459 34.47733380 0.04962027 -0.01491944 -0.06380847 Cs 12.99966477 30.16725620 34.47349903 -0.01217740 -0.02489622 -0.05915923 Cs 12.98929124 25.77535657 38.83156592 -0.01108369 0.01737593 0.04539644 Cs 8.69185892 30.16908403 38.86832959 0.01268134 -0.02334571 0.05437195 Cs 17.30918830 25.86088493 34.47507900 -0.00357066 -0.00737442 -0.07712372 Cs 21.50960709 30.09886344 34.43593437 0.01823334 -0.00720751 -0.06359136 Cs 21.61848524 25.88859120 38.78576549 0.00554224 -0.01072996 0.05668083 Cs 17.29033449 30.11393570 38.75567507 -0.01279964 -0.01450592 0.06370749 Cs 25.91039380 25.91421782 34.51855576 -0.01227870 -0.02909819 -0.07849398 Cs 30.15553603 30.06217206 34.41429748 -0.00598809 0.02227271 -0.06023365 Cs 30.19529758 25.80231253 38.71614699 -0.02491433 0.00530188 0.06521195 Cs 25.94088586 30.22810234 38.85986470 -0.01229123 -0.02214222 0.04998027 Cs 34.43802403 25.77372359 34.47307866 -0.04490812 0.01111565 -0.06997644 Cs 38.80620358 30.16836404 34.45738113 0.07085983 -0.01580844 -0.04940477 Cs 38.82305198 25.84317203 38.78315242 0.05836315 -0.00120946 0.05164038 Cs 34.51167308 30.05631380 38.74734018 -0.05914779 0.00159439 0.06647317 Cs 0.04271559 34.48443807 34.54654143 -0.08731367 -0.04972989 -0.05677743 Cs 4.37749620 38.79134712 34.40755562 0.03181153 0.08962246 -0.03227901 Cs 4.31787985 34.41551158 38.74958663 0.04556930 -0.04063590 0.08948863 Cs 0.08002785 38.82182238 38.74538370 -0.03652850 0.04263166 0.04109958 Cs 8.55397336 34.42894268 34.51310777 0.04201328 -0.05792420 -0.05864620 Cs 13.07121316 38.83051164 34.51250993 -0.01273273 0.05770999 -0.05321889 Cs 12.93098242 34.45888154 38.79907767 0.00354684 -0.04350683 0.06139290 Cs 8.55999934 38.84452385 38.73225247 0.01825139 0.05142539 0.05504735 Cs 17.32939497 34.40383024 34.45119081 -0.01393865 -0.04819925 -0.06392090 Cs 21.59257050 38.79126148 34.47483236 -0.00687097 0.06609263 -0.04348472 Cs 21.47825081 34.40397841 38.82634739 0.01846960 -0.03949957 0.06329877 Cs 17.24804451 38.75568785 38.81871072 0.00592706 0.05192377 0.05407978 Cs 25.84701209 34.42511700 34.45561947 -0.00286911 -0.06559911 -0.05351208 Cs 30.03263809 38.77790576 34.43844659 0.01268291 0.06135503 -0.03301109 Cs 30.15701640 34.43822074 38.87749338 0.00445575 -0.04363435 0.04969180 Cs 25.87767674 38.84731636 38.82782355 -0.00919109 0.04116122 0.05215436 Cs 34.56088112 34.51151986 34.40311735 -0.10109554 -0.06670878 -0.04282597 Cs 38.77618029 38.72866795 34.52258234 0.07114044 0.07789247 -0.03423344 Cs 38.73171798 34.43407803 38.71231449 0.06450110 -0.03149010 0.07887581 Cs 34.42758010 38.85488177 38.81693779 -0.03705961 0.05715901 0.05487371