opti conp comp name lowEnergy cell 12.32560 8.70761 8.30826 89.9645 90.1018 90.1692 frac F core 0.8317096377159245 0.7427090872750597 0.2529588668377230 F core 0.1757692243437106 0.7257976382187437 0.7497426350475465 F core 0.1747449572110042 0.7195028394441394 0.2506488174665336 F core 0.4976206860120129 0.5068289866065641 0.4852893410551431 F core 0.1693957077911463 0.5195502971881325 0.9940759229961103 F core 0.4926203188845406 0.7556632550451141 0.2513620448942220 F core 0.4944419390377632 0.0031106004828345 0.9972045463334709 F core 0.6650813145560690 0.2485879966593316 0.0147663665490327 F core 0.0037436330172440 0.9950652648994875 0.7482303648086912 F core 0.9944998976531565 0.0224896133713557 0.2509966966239148 F core 0.5075367407791020 0.0007540732434990 0.5031455064362618 F core 0.8292914374585720 0.5242282282843789 0.5029907893744010 F core 0.8290542091073902 0.7591523880937316 0.7473491919358111 F core 0.1723376885358974 0.5227121723435602 0.5067766306914478 F core 0.6560838501940367 0.0100708728406858 0.7540334494497216 F core 0.4994049510276213 0.5049487869953708 0.0153614805145352 O core 0.6665320868211992 0.2569815855008031 0.4824415685597216 O core 0.0042595990730590 0.2595241334918299 0.5124837845330177 O core 0.8320826011245828 0.9927223930554874 0.0124953306992737 O core 0.1684685898191844 0.9888808743869788 0.0024623343360730 O core 0.3361645168804372 0.0316827310770051 0.2650783309385858 O core 0.8382038735893218 0.2568360554648308 0.2495693727328216 O core 0.0150441823036118 0.7494188017109522 0.4949484010192009 O core 0.3310934907706127 0.2448575096589920 0.4888086999720187 O core 0.1565147847613630 0.2551874571083772 0.2363377881086919 O core 0.4978485272399809 0.2651350348137598 0.7537882731779746 O core 0.6461957718602633 0.7514917785043309 0.4964801580389420 O core 0.9792900493788324 0.5014750260304837 0.7511003260610920 O core 0.6687225991628409 0.0301722536124558 0.2494389437168181 O core 0.3342297115126769 0.7513042025190302 0.0016633480144179 O core 0.5046399996033131 0.2520013304916660 0.2483447202690456 O core 0.4962624805329128 0.7143874093816507 0.7502793170765472 O core 0.1715948757670631 0.2559242011744587 0.7634501410634158 O core 0.9867346865449917 0.4883191890468623 0.2478414156286632 O core 0.3356309151700998 0.7771304004628945 0.4997940009601720 O core 0.6418333046695750 0.7563083521222040 0.0054432055036386 O core 0.3468042239516507 0.4774321352753503 0.7478346392442106 O core 0.6769732250947129 0.4797605852436035 0.2470342900803928 O core 0.1626488838864830 0.9834847880544260 0.4962017137379107 O core 0.6655264358393040 0.4930857589077391 0.7503069541251222 O core 0.8325192202724807 0.9920344904702034 0.4869801726363221 O core 0.3379478988233799 0.0331393128131836 0.7288126975237148 O core 0.0104784879685269 0.2476906241941919 0.9825286230632599 O core 0.3223187460935222 0.2485463742146194 0.0126518179327348 O core 0.0173630714692692 0.7546701740472628 0.0051463894673844 O core 0.8295815378745885 0.5229614447255884 0.9970645985164523 O core 0.3338616698271579 0.4759767056055750 0.2525478413772291 O core 0.8366203956398266 0.2464668431545718 0.7498830005308719 F shel 0.8317096377159245 0.7427090872750597 0.2529588668377230 F shel 0.1757692243437106 0.7257976382187437 0.7497426350475465 F shel 0.1747449572110042 0.7195028394441394 0.2506488174665336 F shel 0.4976206860120129 0.5068289866065641 0.4852893410551431 F shel 0.1693957077911463 0.5195502971881325 0.9940759229961103 F shel 0.4926203188845406 0.7556632550451141 0.2513620448942220 F shel 0.4944419390377632 0.0031106004828345 0.9972045463334709 F shel 0.6650813145560690 0.2485879966593316 0.0147663665490327 F shel 0.0037436330172440 0.9950652648994875 0.7482303648086912 F shel 0.9944998976531565 0.0224896133713557 0.2509966966239148 F shel 0.5075367407791020 0.0007540732434990 0.5031455064362618 F shel 0.8292914374585720 0.5242282282843789 0.5029907893744010 F shel 0.8290542091073902 0.7591523880937316 0.7473491919358111 F shel 0.1723376885358974 0.5227121723435602 0.5067766306914478 F shel 0.6560838501940367 0.0100708728406858 0.7540334494497216 F shel 0.4994049510276213 0.5049487869953708 0.0153614805145352 O shel 0.6665320868211992 0.2569815855008031 0.4824415685597216 O shel 0.0042595990730590 0.2595241334918299 0.5124837845330177 O shel 0.8320826011245828 0.9927223930554874 0.0124953306992737 O shel 0.1684685898191844 0.9888808743869788 0.0024623343360730 O shel 0.3361645168804372 0.0316827310770051 0.2650783309385858 O shel 0.8382038735893218 0.2568360554648308 0.2495693727328216 O shel 0.0150441823036118 0.7494188017109522 0.4949484010192009 O shel 0.3310934907706127 0.2448575096589920 0.4888086999720187 O shel 0.1565147847613630 0.2551874571083772 0.2363377881086919 O shel 0.4978485272399809 0.2651350348137598 0.7537882731779746 O shel 0.6461957718602633 0.7514917785043309 0.4964801580389420 O shel 0.9792900493788324 0.5014750260304837 0.7511003260610920 O shel 0.6687225991628409 0.0301722536124558 0.2494389437168181 O shel 0.3342297115126769 0.7513042025190302 0.0016633480144179 O shel 0.5046399996033131 0.2520013304916660 0.2483447202690456 O shel 0.4962624805329128 0.7143874093816507 0.7502793170765472 O shel 0.1715948757670631 0.2559242011744587 0.7634501410634158 O shel 0.9867346865449917 0.4883191890468623 0.2478414156286632 O shel 0.3356309151700998 0.7771304004628945 0.4997940009601720 O shel 0.6418333046695750 0.7563083521222040 0.0054432055036386 O shel 0.3468042239516507 0.4774321352753503 0.7478346392442106 O shel 0.6769732250947129 0.4797605852436035 0.2470342900803928 O shel 0.1626488838864830 0.9834847880544260 0.4962017137379107 O shel 0.6655264358393040 0.4930857589077391 0.7503069541251222 O shel 0.8325192202724807 0.9920344904702034 0.4869801726363221 O shel 0.3379478988233799 0.0331393128131836 0.7288126975237148 O shel 0.0104784879685269 0.2476906241941919 0.9825286230632599 O shel 0.3223187460935222 0.2485463742146194 0.0126518179327348 O shel 0.0173630714692692 0.7546701740472628 0.0051463894673844 O shel 0.8295815378745885 0.5229614447255884 0.9970645985164523 O shel 0.3338616698271579 0.4759767056055750 0.2525478413772291 O shel 0.8366203956398266 0.2464668431545718 0.7498830005308719 Li core 0.9988065561346460 0.5118175430862948 0.5076517029536447 Li core 0.1725108489980300 0.0126389172885553 0.7504875625887095 Li core 0.0050973726807939 0.7196657862283757 0.2492107922436375 Li core 0.1598968532851046 0.2272126898355040 0.5000982356369121 Li core 0.9995900221247425 0.7299365267547415 0.7504405145731852 Li core 0.3287052712699108 0.9979534697364159 0.0132710167481207 Li core 0.1759953274446460 0.4947480443501888 0.7502301872871016 Li core 0.5047861441112644 0.2432665684757751 0.0040072941192122 Li core 0.5012106628386519 0.0228682356786294 0.2455141864865382 Li core 0.3306761537552063 0.4989945685410220 0.0125730374414772 Li core 0.5083136415477369 0.2501717351527262 0.4952272784553386 Li core 0.5011109686961177 0.0357710900511421 0.7543135752668562 Li core 0.3299246192602325 0.4809466248034440 0.4904590152550981 Li core 0.6690146295741997 0.5035747854704411 0.4956747550331571 Li core 0.4959332852189107 0.4782807697146794 0.2487545509330147 Li core 0.3356306162190776 0.7243910715151074 0.7530270010886326 Li core 0.9968687388734949 0.5222935457762432 0.9927383993156838 Li core 0.0018630319171180 0.9819412927098483 0.9977963221403314 Li core 0.6693772518853436 0.9827001292760187 0.0083622145125162 Li core 0.6697195978085659 0.9926999434043537 0.4897243864083975 Li core 0.8347424410877053 0.2281383074734080 0.9951390770837278 Li core 0.1743833665960040 0.4894871408637940 0.2511947437706539 Li core 0.0004792936610727 0.9833550858286273 0.5017645716701651 Li core 0.6660274804021427 0.2563694120553421 0.7270896024845825 Li core 0.8315774034734460 0.2269707056678740 0.5043742997531595 Li core 0.3345510646633443 0.7109579434518594 0.2481659000834284 Li core 0.6692481777866561 0.5265216545025524 0.0038855223045502 Li core 0.6596557285637488 0.7370700314211192 0.2514340625155782 Li core 0.8472131207519098 0.7578508248823823 0.9991341285416127 Li core 0.8413394918872328 0.7620575747841869 0.5004236883629076 Li core 0.1725164112398332 0.0163419878640738 0.2495648128182637 Li core 0.6618216296245478 0.7336888316732981 0.7496417568529878 Mn core 0.8309055347723415 0.4916435658583396 0.2326108459642811 Mn core 0.8256718514912365 0.4861985300093679 0.7673184768348023 Mn core 0.8248550668666397 0.0013528595295966 0.2496091119946797 Mn core 0.9990032173503636 0.2657126722241898 0.2605938862139396 Mn core 0.3368415302104992 0.2543464944138094 0.7486936797724724 Mn core 0.5056927517779357 0.4859796108676946 0.7526414353223316 Mn core 0.6623803120423588 0.2534021387087222 0.2630792257473544 Mn core 0.1695337146510383 0.7695121565375587 0.0007219667562808 Mn core 0.0024356725008730 0.2643459967008468 0.7421834073596187 Mn core 0.4984844097759904 0.7544801871460010 0.5105609500846811 Mn core 0.4933348180582016 0.7581986252191939 0.9900473804942536 Mn core 0.1650215293537158 0.7645492580790574 0.4995213924218405 Mn core 0.3380775007107388 0.2581344614912595 0.2510025242133622 Mn core 0.3287846073953204 0.0151239036518831 0.4957506632707407 Mn core 0.1645152796943634 0.2333434062379212 0.9999500165507058 Mn core 0.8285465073148615 0.0068319336931566 0.7501666886091627 space 1 species Li core 1.0 Mn core 3.0 F core {F_core:.3f} F shel {F_shel:.3f} O core {O_core:.3f} O shel {O_shel:.3f} spring F {F_spring:.3f} 0 0 0 O {O_spring:.3f} 0 0 0 buck Li core O shel {Li_O_A:10.4f} {Li_O_rho:6.4f} {Li_O_C:6.4f} 0 12 O shel O shel {O_O_A:10.4f} {O_O_rho:6.4f} {O_O_C:6.4f} 0 12 O shel F shel {O_F_A:10.4f} {O_F_rho:6.4f} {O_F_C:6.4f} 0 12 F shel F shel {F_F_A:10.4f} {F_F_rho:6.4f} {F_F_C:6.4f} 0 12 Mn core O shel {Mn_O_A:10.4f} {Mn_O_rho:6.4f} {Mn_O_C:6.4f} 0 12 Li core F shel {Li_F_A:10.4f} {Li_F_rho:6.4f} {Li_F_C:6.4f} 0 12 Mn core F shel {Mn_F_A:10.4f} {Mn_F_rho:6.4f} {Mn_F_C:6.4f} 0 12