SQLite format 3@ , .  ? ^ B 8Ed\%/sindexnumber_indexnumber_key_valuesCREATE INDEX number_index ON number_key_values(key)T!+kindextext_indextext_key_valuesCREATE INDEX text_index ON text_key_values(key)<Sindexkey_indexkeysCREATE INDEX key_index ON keys(key)H ']indexspecies_indexspeciesCREATE INDEX species_index ON species(Z)W -uindexcalculator_indexsystems CREATE INDEX calculator_index ON systems(calculator)Q )mindexusername_indexsystems CREATE INDEX username_index ON systems(username)H #aindexctime_indexsystems CREATE INDEX ctime_index ON systems(ctime)T +qindexunique_id_indexsystems CREATE INDEX unique_id_index ON systems(unique_id)[##tableinformationinformation CREATE TABLE information ( name TEXT, value TEXT)*//tablenumber_key_valuesnumber_key_valuesCREATE TABLE number_key_values ( key TEXT, value REAL, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems*)('&%$#"!        d  djH   gm  E # B$M2f6ff6686076bb7f343df955b338ca36$Mc20c4addbe1aee4aac01e992a80d1147$M747e33006b768797e6a1ec7ab4dd50b9$M803b841dae9385f0ed51cd8ec14b9461$Mb8d5758ea871f3bd7b6b259671166d12$M2836314b3ec9ac7e31b82c19cf725f10$Mfe815704d648a3a82147edf7525434eb$M8c40b3efa9d0e5d21dd7010b8841aa4a$M1b3de8d1052d084187bc2ddf70ea5f14$Mbd4948cbb6ddca1e83f2413b737ac7b6$Mf310d187a295694cfc2bad4ba1739104$M2bf021118db32cf70b18bd38c5f4f95c$M51dcca1136dd34b06efea56bd5762fab $Mdd4bb13bb31223aba64a21b5e50418bf $M353e83a7b8dc36f6a455db57b5a3c739 $Mb59171d393ff7cad2c4f0891f6641827 $Mb38c2605227b874e3dc7b7e13f277db9 $Mbfdbba7464c65d9b079bdacda876ff74$Mb832b8034d48827b29e0c7eb6f63357c$Mf62be36659270e6e822118a7ce1cb1a1$M43cb88c285ec81c4b9ae6c3e4a43aeb1$Mad48016136b18cd9abf2a0fd97e4284d$Mbdc5e09c44ce57f308979cd83bf8b93c$M66c10beab5385297372a254b09446cb2#M 7c14441b548abdc65e36a6911147a233  systems 2[{rjaYQH@7/& }tlc[2 1O60 /O6.O6- ,O6+ *O6) ( 'O6&O6% $O6# " !O6  O6O6 O6 O6   O6   O6     O6   O6  O6  O6   O6 O6  O6 O6  O6 O6 LzoaQ@2'{j\QE9.  { o c X J : )    t d S E : . "  } o d X L A 3 #   v k ] M < . #  w f W K > 1 %  qeXK?0 reYJ9' sdSA2& ~m[L Hads_siteG#plane_indexF!Dipole_val Edistance Dads_E Catom_E Bslab_E Astr_E @ads_site?#plane_index>!Dipole_val =distance <ads_E ;atom_E :slab_E 9str_E 8ads_site7#plane_index6!Dipole_val 5distance 4ads_E 3atom_E 2slab_E 1str_E 0ads_site/#plane_index.!Dipole_val -distance ,ads_E +atom_E *slab_E )str_E (ads_site'#plane_index&!Dipole_val %distance $ads_E #atom_E "slab_E !str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index~!Dipole_val }distance |ads_E {atom_E zslab_E ystr_E xads_sitew#plane_indexv!Dipole_val udistance tads_E satom_E rslab_E qstr_E pads_siteo#plane_indexn!Dipole_val mdistance lads_E katom_E jslab_E istr_E hads_site g#plane_index f!Dipole_val edistance dads_E catom_E bslab_E astr_E `ads_site _#plane_index ^!Dipole_val ]distance \ads_E [atom_E Zslab_E Ystr_E Xads_site W#plane_index V!Dipole_val Udistance Tads_E Satom_E Rslab_E Qstr_E Pads_site O#plane_index N!Dipole_val Mdistance Lads_E Katom_E Jslab_E Istr_E Hads_site G#plane_index F!Dipole_val Edistance Dads_E Catom_E Bslab_E Astr_E @ads_site?#plane_index>!Dipole_val =distance <ads_E ;atom_E :slab_E 9str_E 8ads_site7#plane_index6!Dipole_val 5distance 4ads_E 3atom_E 2slab_E 1str_E 0ads_site/#plane_index.!Dipole_val -distance ,ads_E +atom_E *slab_E )str_E (ads_site'#plane_index&!Dipole_val %distance $ads_E #atom_E "slab_E !str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E  ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E XyhWF5$ziXads_site1bads_site1bads_site1bads_site1bads_site1bads_site1bads_site1bads_site2fads_site2fads_site2fads_site2fads_site2f ads_site2f  ads_site2f  ads_site2f  ads_site2f  ads_site2f ads_site2fads_site2fads_site2fads_site2fads_site2fads_site2fads_site2f ads_site2f,+-  version9  d  djH   gm  E # B$M2f6ff6686076bb7f343df955b338ca36$Mc20c4addbe1aee4aac01e992a80d1147$M747e33006b768797e6a1ec7ab4dd50b9$M803b841dae9385f0ed51cd8ec14b9461$Mb8d5758ea871f3bd7b6b259671166d12$M2836314b3ec9ac7e31b82c19cf725f10$Mfe815704d648a3a82147edf7525434eb$M8c40b3efa9d0e5d21dd7010b8841aa4a$M1b3de8d1052d084187bc2ddf70ea5f14$Mbd4948cbb6ddca1e83f2413b737ac7b6$Mf310d187a295694cfc2bad4ba1739104$M2bf021118db32cf70b18bd38c5f4f95c$M51dcca1136dd34b06efea56bd5762fab $Mdd4bb13bb31223aba64a21b5e50418bf $M353e83a7b8dc36f6a455db57b5a3c739 $Mb59171d393ff7cad2c4f0891f6641827 $Mb38c2605227b874e3dc7b7e13f277db9 $Mbfdbba7464c65d9b079bdacda876ff74$Mb832b8034d48827b29e0c7eb6f63357c$Mf62be36659270e6e822118a7ce1cb1a1$M43cb88c285ec81c4b9ae6c3e4a43aeb1$Mad48016136b18cd9abf2a0fd97e4284d$Mbdc5e09c44ce57f308979cd83bf8b93c$M66c10beab5385297372a254b09446cb2#M 7c14441b548abdc65e36a6911147a233 reXK>1$  @7~ ^x @7~ Y @7~ Th @7~ OTq @7~ J @7~ F9A @7~ A @7~ 8 @7~ 4 @7~ /& @7~ , @7~ (. @7~ $ @7~ " @7~ /n @7~ d @7~ 0/ @7~ W @7~ f| @7~  @7~ P @7~ @7~. @7~   @7~R  zqh_VMD;2) hecchecchecchecchecchecchecchecchecchecchecchecchecc hecc hecc hecc hecc hecchecchecchecchecchecchecc hecc  zqh_VMD;2) vaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvaspvasp vasp vasp vasp vasp vaspvaspvaspvaspvaspvaspvasp vasp 2% xl`TB60~rfZNH<*2O10O/O.-O,+O*)(O'O& %O$#"O! OOOO O O  O OOO  O O  OOOO  X/ i  @ z  Q Cm,tK " \ 3 m 7a J;u L # ] 4 e$Nx ~U , f  = w  Bl+Ug> x  O & ` )S}<H Y 0 j  A s 2\&` 7 q  H  Nx 7a1k B |  S * ZCm ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val~ distance} ads_E| atom_E{ slab_Ez str_Ey ads_sitex#plane_indexw!Dipole_valv distanceu ads_Et atom_Es slab_Er str_Eq ads_sitep#plane_indexo!Dipole_valn distancem ads_El atom_Ek slab_Ej str_Ei ads_siteh#plane_indexg!Dipole_valf distancee ads_Ed atom_Ec slab_Eb str_Ea ads_site`#plane_index_!Dipole_val^ distance] ads_E\ atom_E[ slab_EZ str_EY ads_siteX#plane_indexW!Dipole_valV distanceU ads_ET atom_ES slab_ER str_EQ ads_siteP#plane_indexO!Dipole_valN distanceM ads_EL atom_EK slab_EJ str_EI ads_siteH#plane_indexG!Dipole_valF distanceE ads_ED atom_EC slab_EB str_EA ads_site@#plane_index?!Dipole_val> distance= ads_E< atom_E; slab_E: str_E9 ads_site8#plane_index7!Dipole_val6 distance5 ads_E4 atom_E3 slab_E2 str_E1 ads_site0#plane_index/!Dipole_val. distance- ads_E, atom_E+ slab_E* str_E) ads_site(#plane_index'!Dipole_val& distance% ads_E$ atom_E# slab_E" str_E! ads_site #plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E reXK>1$  ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site ads_site  ads_site kec a _ ]  [  M6|+) } ' { % y # w ! k T53 1 / - + v _tr p  n  l  j  ] FUS Q O M K <%k@> < : 8 6 %kKI G E C A 1w#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index~!Dipole_val} distance| ads_E{ atom_Ez slab_Ey str_Ex#plane_indexw!Dipole_valv distanceu ads_Et atom_Es slab_Er str_Eq#plane_indexp!Dipole_valo distancen ads_Em atom_El slab_Ek str_Ej#plane_indexi!Dipole_valh distanceg ads_Ef atom_Ee slab_Ed str_Ec#plane_indexb!Dipole_vala distance` ads_E_ atom_E^ slab_E] str_E\#plane_index[!Dipole_valZ distanceY ads_EX atom_EW slab_EV str_EU#plane_indexT!Dipole_valS distanceR ads_EQ atom_EP slab_EO str_EN#plane_indexM!Dipole_valL distanceK ads_EJ atom_EI slab_EH str_EG#plane_indexF!Dipole_valE distanceD ads_EC atom_EB slab_EA str_E@#plane_index?!Dipole_val> distance= ads_E< atom_E; slab_E: str_E9#plane_index8!Dipole_val7 distance6 ads_E5 atom_E4 slab_E3 str_E2#plane_index1!Dipole_val0 distance/ ads_E. atom_E- slab_E, str_E+#plane_index*!Dipole_val) distance( ads_E' atom_E& slab_E% str_E$#plane_index#!Dipole_val" distance! ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E#plane_index!Dipole_val distance ads_E atom_E slab_E str_E t(MD\{\ls 7c14441b548abdc65e36a6911147a233@7~R@8ͳzheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOR8(@ ܺ:? ܺ:?ę_'@ x#s? K`?#=Bununuaunun?ua>`#=Bun?unuaun?un?uaX|[Tw?>`?#=B>`#=Bg+2?g+2?sAп,^, a8h>пg+2?g+2sAп,^, a8h>пO;5Yҿ,^, a?8h>пg+2g+2?sAп,^, a?8h>пg+2g+2sAпގ;/K;5?0!Z?0!Z?Za?0!Z?0!ZZa?ގ?;/K;5?0!Z0!Z?Za?0!Z0!ZZa?  ?ގ;/K;5?ގ?;/K;5?bFlnR?bFlnR?30aa?>򚼯H{"str_E": -168.06997, "slab_E": -165.0637, "atom_E": -1.1170954, "ads_E": -1.8891746000000007, "distance": 0.464289, "Dipole_val": -0.123433, "plane_index": 100, "ads_site": "2f"}{}7?% Z?RnlFb@=@ƙ y(MD\{\l} 66c10beab5385297372a254b09446cb2@7~ @8ͳheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOaq8?aq8?Grw'@aִ? Ki:?Nwx?n,( ?IӠh>IӠhi:?IӠh>IӠh>i:?:=Ƃ?Nwxn,( ?Nwx?n,( ?rQz???̹j]?>! v{"str_E": -165.06939, "slab_E": -165.0637, "atom_E": 0.0017485894, "ads_E": -0.0074385893999870945, "distance": 3.59681, "Dipole_val": -0.0113892, "plane_index": 100, "ads_site": "2f"}{}7?zQr?@=@B =K s(MD\{\lq bdc5e09c44ce57f308979cd83bf8b93c@7~.@8ͳVheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOio*@j?j?Pk'@k ? Kѿz2z2?֪]ѿ$zۑ`>ѿ>ѿ$zۑ?`>ѿz2?z2֪]ѿ$zۑ?`>ѿz2?z2?֪]ѿz2Qt XS?GV?GV?dWZF=?GV?GVdWZF=?z2Qt? XS?GVGV?dWZF=?GVGVdWZF=?TTJ?z2Qt XS?z2Qt? XS?.x۝?.x۝?V|o`?ˮ/{"str_E": -168.23037, "slab_E": -165.0637, "atom_E": -0.29886761, "ads_E": -2.8678023899999823, "distance": 1.61951, "Dipole_val": -2.69588, "plane_index": 100, "ads_site": "2f"}{}7?X?x.@=@ɑ> t(MD\{\ls ad48016136b18cd9abf2a0fd97e4284d@7~@8ͳheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOU0*(@';?';?uT5A'@a? K! v{"str_E": -169.14684, "slab_E": -165.0637, "atom_E": -0.039435963, "ads_E": -4.043704036999986, "distance": 0.46059, "Dipole_val": -0.237842, "plane_index": 100, "ads_site": "2f"}{}7?[?E@=@ʚ{T u(MD\{\lu 43cb88c285ec81c4b9ae6c3e4a43aeb1@7~ P@8ͳ!heccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOמY'@L?L?+e'@\tYL? K#@@Z m#@@Z m#@M-[?M-[?t@֋h? Kec(#n2daDJy\?DJy\?֦FT^ PZRTj?DJy\?DJy\֦FT^ PZRTj?شRrT^ PZ?RTj?DJy\DJy\?֦FT^ PZ?RTj?DJy\DJy\֦F$Pe j iTd[? iTd[?Y|^t iTd[? iTd[Y|^t$P?e j iTd[ iTd[?Y|^t iTd[ iTd[Y|^t/:‿$Pe j$P?e jAA)ZG?AA)ZG?@ϠU}e_?AA)ZG?AA)ZG@ϠU}e_?gϠU?}e_?AA)ZGAA)ZG?@ϠU?}e_?AA)ZGAA)ZG@e jq9^IiE&HB?E&HB?̰QvE&HB?E&HB̰Qve j?q9^IiE&HBE&HB?̰QvE&HBE&HB̰Qv]pXZe jq9^Iie j?q9^Ii%F%F!X4п9 x п%F%F?!X4п9 x п: Uտ9 x? п%F?%F!X4п9 x? п%F?%F?!X4пduI*-9(?Րǂ?Րǂ?:dw?Րǂ?Րǂ:dw?duI?*-9(?ՐǂՐǂ?:dw?ՐǂՐǂ:dw?lY?duI*-9(?duI?*-9(?K)#Q?K)#Q?{FpGa?>򚼯H{"str_E": -171.05504, "slab_E": -165.0637, "atom_E": -0.34870277, "ads_E": -5.64263722999998, "distance": 0.0942436, "Dipole_val": -0.0224245, "plane_index": 100, "ads_site": "2f"}{}7?:/?Q#)K@=@ˀ܏ u(MD\{\lu f62be36659270e6e822118a7ce1cb1a1@7~ @8ͳheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO<Z?<Z?iƢ'@J4? Kx@O#-@ Kx@~@?O#-@Q@ Kx@>x@O#-@I @Bi@j@j@S!uq@j@/ Ҭ@S!uq@S"^F@Bi@/ Ҭ@j@S!uq@/ Ҭ@/ Ҭ@S!uq@Pps@I @Bi@S"^F@Bi@cՐ?cՐ?2r @cՐ? Kϟ6п)H?9w^ѿCrc?Crc>ϟ6п)H?9w^ѿ5ӽNԿ)H9w^ѿCrcCrc?>ϟ6п)H9w^ѿCrcCrc>ϟ6пD6.6Tg~5?h!˛?h!˛?àL?h!˛?h!˛àL?D6.6T?g~5?h!˛h!˛?àL?h!˛h!˛àL? ?D6.6Tg~5?D6.6T?g~5?sc ? ?]fa?>W۩{"str_E": -170.57734, "slab_E": -165.0637, "atom_E": -3.123956, "ads_E": -2.389683999999981, "distance": 0.748237, "Dipole_val": 0.359655, "plane_index": 100, "ads_site": "2f"}{}7?cs? ݝ@=@(V` r(MD\{\lo bfdbba7464c65d9b079bdacda876ff74@7~ W@8ͳheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO*oG8-x?*oG8-x?߉Y/'@-i? Kx}'@ Kda>dq0 |a>da>d?q0 |:`D$`a>d?a>dq0 |a>d?a>d?q0 |h:`D?$`:`D$`ِfoِfoQ [gk$ E?ϛTh?ِfoِfo?Q [gk$ E?ϛTh?ٕf?k$ EϛTh?ِfo?ِfoQ [gk$ EϛTh?ِfo?ِfo?Q [g|udZZp#fF?Z?#fF?Z?4)}#fF?Z?#fF?Z4)}|u?dZZp#fF?Z#fF?Z?4)}#fF?Z#fF?Z4)}>?|udZZp|u?dZZp 름? 름?cKпm4r?nꐛп 름? 름cKпm4r?nꐛпҿm4rnꐛп 름 름?cKпm4rnꐛп 름 름cKп)s~FzQ_?GW:{?GW:{?}֤?GW:{?GW:{}֤?)s~?FzQ_?GW:{GW:{?}֤?GW:{GW:{}֤?TVD?)s~FzQ_?)s~?FzQ_?|A hw~l?w~l?4*a?>dSN[{"str_E": -169.92567, "slab_E": -165.0637, "atom_E": -1.5326215, "ads_E": -3.329348499999985, "distance": 0.843418, "Dipole_val": 0.594067, "plane_index": 100, "ads_site": "2f"}{}7?h?l~w@=@y1 o (MD\{\li b38c2605227b874e3dc7b7e13f277db9@7~ 0/@8ͳrheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO CV?CV??v'@aq8? K|Ge_{"str_E": -168.69534, "slab_E": -165.0637, "atom_E": -0.42381475, "ads_E": -3.207825249999976, "distance": 1.25886, "Dipole_val": 1.029, "plane_index": 100, "ads_site": "2f"}{}7?tKA= ?+Oo@=@Ϙt~ u (MD\{\lu b59171d393ff7cad2c4f0891f6641827@7~ d@8ͳ7heccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO ,`?,`?*t^cx'@pӰ? K.enO{"str_E": -165.08479, "slab_E": -165.0637, "atom_E": -0.0125517, "ads_E": -0.00853829999998673, "distance": 3.42426, "Dipole_val": -0.0123067, "plane_index": 100, "ads_site": "2f"}{}7?dU ?lsQ@=@/0c r (MD\{\lo 353e83a7b8dc36f6a455db57b5a3c739@7~ /n@8ͳ ,hecc OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOy]+@|DL$?|DL$?\'@q? K @ K2wV?3kR3kR?MV%>2wV?3kR3kRMV4 ;ǺF_ P?_ P?$W@n_ P?_ P$W@n4 ;?ǺF_ P_ P?$W@n_ P_ P$W@n\bW?4 ;ǺF4 ;?ǺFóe?óe?C4i?fvd?\bW?óe?óeC4i?fvd?\bW? Om9?fvd\bW?óeóe?C4i?fvd\bW?óeóeC4i?f.pyY=ZמY?מY?M(D!tמY?מYM(D!tf.pyY?=ZמYמY?M(D!tמYמYM(D!tU\f.pyY=Zf.pyY?=ZN$xN$xSy=ѿ8J^c@C3ѿN$xN$x?Sy=ѿ8J^c@C3ѿRc$ѿ8J^c@?C3ѿN$x?N$xSy=ѿ8J^c@?C3ѿN$x?N$x?Sy=ѿƢdpt<+?WWN@a?WW?N@a?Ƣdpt?<+?W?WN@a?W?W?N@a?&m?Ƣdpt<+?Ƣdpt?<+?_)4[?_)4[?(xpC`?z򚼯H{"str_E": -167.6518, "slab_E": -165.0637, "atom_E": -0.22474232, "ads_E": -2.3633576799999974, "distance": 2.11128, "Dipole_val": -4.66857, "plane_index": 100, "ads_site": "2f"}{}7?t"+)T?[4)_@=@ї t (MD\{\ls dd4bb13bb31223aba64a21b5e50418bf@7~ "@8ͳ&`hecc OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO .V`j*@ӼI?ӼI?#Ed'@mV}? K?9]s?r_c? 0M? 0M!J>?9]s?r_c?10&?9]sr_c? 0M 0M?!J>?9]sr_c? 0M 0M!J>?G?A !?%2R?%2R?YBsm%2R?%2RYBsmGA !?%2R%2R?YBsm%2R%2RYBsm ЂG?A !?GA !?ٕٕfHѿ .V`c> ѿٕٕ?fHѿ .V`c> ѿc&ҿ .V`?c> ѿٕ?ٕfHѿ .V`?c> ѿٕ?ٕ?fHѿd!::^"?#>?#>?Z H?#>?#>Z H?d!::?^"?#>#>?Z H?#>#>Z H?S?d!::^"?d!::?^"?q*E6?q*E6?*a?>!{"str_E": -167.50853, "slab_E": -165.0637, "atom_E": -0.0039355698, "ads_E": -2.440894430199996, "distance": 1.41013, "Dipole_val": -2.55503, "plane_index": 100, "ads_site": "2f"}{}7?&01?6E*q@=@?{ t (MD\{\ls 51dcca1136dd34b06efea56bd5762fab@7~ $@8ͳ)hecc OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO5 S)@.V`?.V`?2=a'@16? KY1\ݾNj@?Nj@5;Na֪]C?_>Y1\ݾ_ `֪]C_>Y1\ݾNj@Nj@?5;Na֪]C_>Y1\ݾNj@Nj@5;Nabc^G|Z.S|BBjBBjj0 Gt?BBjBBj?j0 Gt?bc^G|?Z.S|BBj?BBjj0 Gt?BBj?BBj?j0 Gt? +jcbc^G|Z.S|bc^G|?Z.S|4`[4`[6Nd?%F?f(ϼL4`[4`[?6Nd?%F?f(ϼL_% D%Ff(ϼL4`[?4`[6Nd?%Ff(ϼL4`[?4`[?6Nd?2#r? -]pzW?pzW?fLg?pzW?pzWfLg?2#r -]pzWpzW?fLg?pzWpzWfLg?39AL2#r? -]2#r -]ͮ{+Cͮ{+Cqrgѿq߅Jwِпͮ{+Cͮ{+C?qrgѿq߅JwِпKxB?Կq߅?Jwِпͮ{+C?ͮ{+Cqrgѿq߅?Jwِпͮ{+C?ͮ{+C?qrgѿq:Ɇ?DXoC?EeÚʢ?EeÚʢ?ß?EeÚʢ?EeÚʢß?q:ɆDXoC?EeÚʢEeÚʢ?ß?EeÚʢEeÚʢß?w ?q:Ɇ?DXoC?q:ɆDXoC?LLU"?LLU"?4ӎ`?*sqT{"str_E": -169.61115, "slab_E": -165.0637, "atom_E": -0.29474202, "ads_E": -4.252707979999998, "distance": 0.934165, "Dipole_val": -0.805164, "plane_index": 100, "ads_site": "2f"}{}7?u P?"ULL@=@Ӗy t(MD\{\ls 2bf021118db32cf70b18bd38c5f4f95c@7~ (.@8ͳ{heccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO2 {c)@ K)t? ?[?#G[?#G[?_vOF?#G[?#G[_vOF?'>)?t? ?[?#G[#G[?_vOF?#G[#G[_vOF??{&z'>)t? ?[?'>)?t? ?[?YLl> U?YLl> U?a_Yir?Pk*.>?YLl> U?YLl> Ua_Yir?Pk*.>?R\U]qP?k*.>?YLl> UYLl> U?a_Yir?P?k*.>?YLl> UYLl> Ua_Yir?V4i&"dTi?IӠhIӠh&pn`IӠhIӠh>&pn`V4i?&"dTi?IӠh>IӠh&pn`IӠh>IӠh>&pn`'eRC[?V4i&"dTi?V4i?&"dTi?}֤b?}֤b?%ѿS%R·2ouѿ}֤b?}֤b%ѿS%R·2ouѿs{EֿS%R·?2ouѿ}֤b}֤b?%ѿS%R·?2ouѿ}֤b}֤b%ѿ/ ҌEs?m? q4? q4?:pΈ? q4? q4:pΈ?/ ҌEsm? q4 q4?:pΈ? q4 q4:pΈ?i!?/ ҌEs?m?/ ҌEsm?v?v?*"i_?K6_7{"str_E": -170.94438, "slab_E": -165.0637, "atom_E": -0.83008219, "ads_E": -5.050597809999984, "distance": 0.865615, "Dipole_val": -0.275734, "plane_index": 100, "ads_site": "2f"}{}7?z&{??v@=@# r(MD\{\lo f310d187a295694cfc2bad4ba1739104@7~ ,@8ͳLheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO!lV)@Du?Du?0_^'@uq ? Kx@nt#@!<8b@nSm#@->x@M»@nt#@->x@->x@nt#@t>#@<@nSm#@!<8b@nSm#@Tގ?Tގ?D @.s,&? Krkr?[?0Bxq?0Bxq?I U?0Bxq?0BxqI U?>rkr[?0Bxq0Bxq?I U?0Bxq0BxqI U?V_]?>rkr?[?>rkr[?v?v?ޟA`?>Ʀ43{"str_E": -171.03061, "slab_E": -165.0637, "atom_E": -1.8878972, "ads_E": -4.079012799999984, "distance": 1.15033, "Dipole_val": 0.0082901, "plane_index": 100, "ads_site": "2f"}{}7?yV}?v@=@ՕĖ s(MD\{\lq bd4948cbb6ddca1e83f2413b737ac7b6@7~ /&@8ͳEheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO X? X?'IL'@lV}? K@s?Kvl@IZ@ K@ K@Kvl@s?IZ@{ʤ@ K@Kvl@Kvl@IZ@Dn@h@z):@z):@at@z):@;M @at@֭޷@h@;M @z):@at@;M @;M @at@dpz@Dn@h@֭޷@h@cՐ?cՐ?2r @cՐ? KiaX|[T7X|[T7,+MJAgǺV? ES`X|[T7X|[T7?,+MJAgǺV? ES`)1 GǺV ES`X|[T7?X|[T7,+MJAgǺV ES`X|[T7?X|[T7?,+MJAg WHh˹T?sIvcsIvc?wsIvcsIvc??w W?Hh˹T?sIvc?sIvc?wsIvc?sIvc??wr9>Zl WHh˹T? W?Hh˹T?.H.H*wkOqn?3R臭d?.H.H?*wkOqn?3R臭d?"s?Oqn3R臭d?.H?.H*wkOqn3R臭d?.H?.H?*wk9+&|twJL?{&Z??{&Z?ʩajKm?{&Z??{&ZʩajKm9+&|t?wJL?{&Z?{&Z?ʩajKm?{&Z?{&ZʩajKmvk 9+&|twJL9+&|t?wJLIӠhIӠhпXj@ΥпIӠhIӠh?пXj@ΥпaҿXj@?ΥпIӠh?IӠhпXj@?ΥпIӠh?IӠh?п]2l%?i?i?cxg?i?icxg?]2l?%?ii?cxg?iicxg?)?]2l%?]2l?%?! _BW'$,(?'$,(?;jKdAa?>z򚼯H{"str_E": -169.90632, "slab_E": -165.0637, "atom_E": -0.94462243, "ads_E": -3.8979975699999825, "distance": 1.25101, "Dipole_val": 0.191292, "plane_index": 100, "ads_site": "2f"}{}7?{rW?(,$'@=@ ܏ r(MD\{\lo 1b3de8d1052d084187bc2ddf70ea5f14@7~ 4@8ͳGXheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO4 ?4 ?vN'@zpwn? Kw'@ K'Iw@0[w@ꕲ ql@ @ꕲ ql@cՐ?cՐ?2r @cՐ? Kq>qr„Ѭlo=mgGR{q?>q>q?r„Ѭlo=mgGR{q?k?=mg?GR{q?>q?>qr„Ѭlo=mg?GR{q?>q?>q?r„ѬloOv3_<$tG8-xW`?G8-xW`?DG8-xW`?G8-xW`DOv3_?<$tG8-xW`G8-xW`?DG8-xW`G8-xW`DRGnOv3_<$tOv3_?<$t *? *?yп ‡r?v п *? *灿yп ‡r?v пť*mҿ ‡rv п *灿 *?yп ‡rv п *灿 *灿yпfLg1je/?z4ՓG?z4ՓG?K>v()?z4ՓG?z4ՓGK>v()?fLg1?je/?z4ՓGz4ՓG?K>v()?z4ՓGz4ՓGK>v()?)TPQ?fLg1je/?fLg1?je/?GS=i?[Kօ?[Kօ?։`?>h{"str_E": -167.86813, "slab_E": -165.0637, "atom_E": -0.24284194, "ads_E": -2.5615880599999965, "distance": 1.7208, "Dipole_val": 0.751963, "plane_index": 100, "ads_site": "2f"}{}7?b?K[@=@҆aq w(MD\{\ly 8c40b3efa9d0e5d21dd7010b8841aa4a@7~ 8@8ͳeBheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO?.@>W[?>W[?jZ_$t'@M»? KW[?iƢ@jZ_$t'@ KW[?jZ_$t'@1%@ KY1\=?UJΉ=E?JΉ=E?ro~D4?JΉ=E?JΉ=Ero~D4?_>Y1\=UJΉ=EJΉ=E?ro~D4?JΉ=EJΉ=Ero~D4?a+ei_>Y1\=?U_>Y1\=UK|%R?K|%R?}!c?ŭ?ͮ{+s?K|%R?K|%R}!c?ŭ?ͮ{+s?ff?ŭͮ{+s?K|%RK|%R?}!c?ŭͮ{+s?K|%RK|%R}!c?dS?9̗'Ln!?Ln!?ff?Ln!?Ln!ff?dS9̗'Ln!Ln!?ff?Ln!Ln!ff?[;QR?dS?9̗'dS9̗'%%}Aѿ3ۃP3Vzm6ѿ%%?}Aѿ3ۃP3Vzm6ѿ(`;Oѿ3ۃP?3Vzm6ѿ%?%}Aѿ3ۃP?3Vzm6ѿ%?%?}AѿZ H?AMG?RT*?RT*?5_%?RT*?RT*5_%?Z HAMG?RT*RT*?5_%?RT*RT*5_%?~d?Z H?AMG?Z HAMG?f ?f ?9K\?dSN[{"str_E": -165.0946, "slab_E": -165.0637, "atom_E": -0.025496589, "ads_E": -0.005403411000002592, "distance": 3.65114, "Dipole_val": -0.0770543, "plane_index": 100, "ads_site": "2f"}{}7?w(W? f@=@Dw$ u(MD\{\lu fe815704d648a3a82147edf7525434eb@7~ A@8ͳZheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOcՐ?#o)@B=Њ?cՐ? '@d`?@j0 Gt'@d`?/ @j0 Gt'@ KRr?̔>Y,ExcAaPqK|%R?N)]R?8j33?K|%R?N)]R8j33?7wS?Blp?m77M-7wS?Blpm77M-2Av${!Ut7wSBlp?m77M-7wSBlpm77M-2Av?${!Ut[ i6?)AGn[ i6)AGn@L…<{9̗W?o +U?-C6ZӼ]() \-C6ZӼ]?() \Ob??{&Z?b!b??{&Zb!b?9̗Wo +U?-C6>ZӼ]() \-C6>ZӼ]?() \ F?F%u[?ׁsFd F?F%u[ׁsFdA ]L?+,?? FF%u[?ׁsFd FF%u[ׁsFdA ]L+,??{h_H[@{h_?H[@מY?4)^yп,,}l?\ph?cGP ѿ,,}l?\phcGP ѿ'яοvzTѿvz?Tѿ4)^?yп,,}l\ph?cGP ѿ,,}l\phcGP ѿ[ i`!sePmNMg?[ i`!sePm?NMg?nS?Xİ?[ i?`!sePmNMg?[ i?`!sePm?NMg?nSXİ?|5ZpRF\?|5Zp?RF\?}i?&NE@?)tÆ?e(`?>[J{"str_E": -168.42825, "slab_E": -165.0637, "atom_E": -1.1170954, "ads_E": -2.2474545999999798, "distance": 0.88495, "Dipole_val": -0.00383199, "plane_index": 100, "ads_site": "1b"}{}7?J3'"?@EN&@=@ƙ y(MD\{\l} 2836314b3ec9ac7e31b82c19cf725f10@7~ F9A@8ͳI?u7Ou@i@u7Ou@cՐ@gsu@cՐ?cՐ?2r @cՐ? K[J{"str_E": -167.90357, "slab_E": -165.0637, "atom_E": -0.29886761, "ads_E": -2.5410023899999907, "distance": 1.95379, "Dipole_val": -3.95516, "plane_index": 100, "ads_site": "1b"}{}7?&a'7?ǥc@=@ɑ> s(MD\{\lq 803b841dae9385f0ed51cd8ec14b9461@7~ OTq@8ͳQheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOcՐ?M»*@e6$?cՐ?Ve'@q89?rt@MJ'@q89?7[ @MJ'@ KW[?ua~#@ x#s@ua~#@cՐ@([Z#@?cՐ?@`?F|'f@hs@`?F_@hs@ Ki?Jiw@V-@Jiw@cՐ@3ds@cՐ?cՐ?2r @cՐ? K)@k+?cՐ?ep:'@z{?P>@9@0Go'@z{?X5;@9@0Go'@ K e'@ K e'@Zd;ߏ@cՐ?ep:'@:dw@P>@9@0Go'@:dw@X5;@9@0Go'@L;u@*5{?Sk#@L;u@8*5{@Sk#@kC8@cՐ@_{fI`#@@*5{?Sk#@@8*5{@Sk#@L<@cՐ@_{fI`#@??֭w#@ĬCy@֭w#@cՐ@`5!j#@_?cՐ?Ԃ}@b?䃞ͪ@$ @b?q@$ @ Kѿ7wRTjf`X|ѿ7wRTj?f`X|ѿK$пW˝`u6ӿW˝`?u6ӿf/`>ѿ7w?RTjf`X|ѿ7w?RTj?f`X|ѿ*3ho?}Pv0b?*3ho?}?Pv0b?gR@?>Ub?*3ho}Pv0b?*3ho}?Pv0b?gR@>Ub?ClT~OS?Cl?T~OS?M1AG?j?>쮆?P^?S:{"str_E": -169.75385, "slab_E": -165.0637, "atom_E": -0.34870277, "ads_E": -4.3414472299999884, "distance": 0.861357, "Dipole_val": -0.00844343, "plane_index": 100, "ads_site": "1b"}{}7?#e?>ݳ@=@ˀ܏ q(MD\{\lm c20c4addbe1aee4aac01e992a80d1147@7~ Y@8ͳs5heccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO;ǀ?cՐ?j'@ԕ?ܵ|@%@M-[k'@ԕ?3h蟀@%@M-[k'@ K̫֔?{"str_E": -170.49652, "slab_E": -165.0637, "atom_E": -1.2476334, "ads_E": -4.185186599999993, "distance": 1.06201, "Dipole_val": 0.474712, "plane_index": 100, "ads_site": "1b"}{}7?w+ ?̵_@=@U: o(MD\{\li 2f6ff6686076bb7f343df955b338ca36@7~ ^x@8ͳheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOJOc?cՐ?;O'@6!?V/@Aek'@6!?u@Aek'@ K@Z }#@Ac]@cՐ@ZK]#@ƊL@E )??Z }#@ƊL@SW>@Z }#@sFZ*@cՐ@ZK]#@R 1?\q#@NE*-@\q#@cՐ@BC[#@/Q5?cՐ?= @z6?oꐛ@HIO@z6?:#J{@HIO@ KuRzwUh b${!UT?Uh b?${!UT?L0kh?^IaLc2wfb`IaLc2wf?b`*Ŏơ~G?ffb[>n*Ŏơ~G?ff?b[>n};l"3G?fba|*Ŏơ~Gffb[>n*Ŏơ~Gff?b[>n};l"3Gfba|HPh?mHPhm;~f?qQew?2tпmYg|_=|z?6пmYg|_=|z6пjѿ5#E?D;)ѿ5#ED;)ѿqQew2tпmYg|_?=|z?6пmYg|_?=|z6пcZB?K?,AF@?cZB?K,AF@?KWx?sV{ ?cZBK?,AF@?cZBK,AF@?KWxsV{ ?qcw?q?cw?bk_@/?<, ?kX+?8a??x{"str_E": -170.3601, "slab_E": -165.0637, "atom_E": -3.123956, "ads_E": -2.172443999999977, "distance": 1.14633, "Dipole_val": 0.930059, "plane_index": 100, "ads_site": "1b"}{}7?,<쿱?+Xk@=@(V` xr^I4  t[H4 u a J 1  u ` K 7  r _ K 6 ! x a H 5 ! w b N 7  vbM8$ x_L8#yeN5"ycM8 jVA+ydL2 mWA,x-distance?W^ Fe,ads_Ea*Q!o+atom_Eܤ$*slab_Ed ԕ+)str_EeKoiD(#plane_indexd'!Dipole_val?ap3<&distance?2f<%ads_EZ.$atom_ENp[I#slab_Ed ԕ+"str_EeO}9!#plane_indexd !Dipole_valJodistance?<%ads_E]Watom_EQ%lK,slab_Ed ԕ+str_Ee8 #plane_indexd!Dipole_val~+U distance?gt}ads_EiLatom_E0Vslab_Ed ԕ+str_Ed@#plane_indexd!Dipole_val*1distance?BMads_ESatom_E 'slab_Ed ԕ+ str_Ed  #plane_indexd !Dipole_valjp distance@ bw] ads_E{[0atom_E?\`_slab_Ed ԕ+str_Ed27#plane_indexd!Dipole_valodCPdistance?Q ads_Ez1atom_Eߟm1Oslab_Ed ԕ+str_Ee 9Xb~#plane_indexd}!Dipole_valԢ#|distance@ 5h{ads_Ev!}Pzatom_Eyslab_Ed ԕ+xstr_EdFtw#plane_indexdv!Dipole_val?audistance?eOtads_E~!|1Lsatom_Eq2Crslab_Ed ԕ+qstr_EdǸզp#plane_indexdo!Dipole_val?|ACgndistance?#πmads_E/YLlatom_E:X}`kslab_Ed ԕ+jstr_Ee=i#plane_indexdh!Dipole_val?fc hgdistance?gnfads_EP?}eatom_E4ӱ\ dslab_Ed ԕ+cstr_Ee`ҝb#plane_indexda!Dipole_valѥ8L`distance?:}P_ads_E3^atom_EaX]slab_Ed ԕ+\str_Ee^8\g[#plane_indexd Z!Dipole_valJTT Ydistance?+ Xads_Ev'! Watom_E * Vslab_Ed ԕ+ Ustr_Ee3qj T#plane_indexd S!Dipole_valpd Rdistance?yV Qads_E󨵔 Patom_EpyPb Oslab_Ed ԕ+ Nstr_EdE M#plane_indexd L!Dipole_val4X Kdistance@ŗN Jads_E(Bͪ Iatom_E[96f Hslab_Ed ԕ+ Gstr_Edۋq F#plane_indexd E!Dipole_val4AP,h> Ddistance@ dmH Cads_E|:f Batom_E! Aslab_Ed ԕ+ @str_Ed ?#plane_indexd >!Dipole_val?vȴ9X =distance?$Jb# <ads_E HCl ;atom_E :slab_Ed ԕ+ 9str_Ee@98 8#plane_indexd7!Dipole_val?@)6distance?Gr5ads_E wc4atom_E:W3slab_Ed ԕ+2str_Ee=m1#plane_indexd0!Dipole_val?g/distance?񎸕d.ads_E1-atom_Eܤ$,slab_Ed ԕ++str_EeRyU*#plane_indexd)!Dipole_val?QL(distance?E?7Mt'ads_E߮&atom_ENp[I%slab_Ed ԕ+$str_Eef%##plane_indexd"!Dipole_valr@l!distance? Y;xa ads_E~x*atom_EQ%lK,slab_Ed ԕ+str_Eea>#plane_indexd!Dipole_valqMοdistance?zNzVCads_E,Fxatom_E0Vslab_Ed ԕ+str_Ee$̷#plane_indexd!Dipole_val)distance?QX(ads_EBa#Eatom_E 'slab_Ed ԕ+str_Ee_0X#plane_indexd !Dipole_valS88 distance@ DR?g ads_E~w#8 atom_E?\`_ slab_Ed ԕ+str_Ed8q`l# plane_indexd! Dipole_valN?Fg distance?ݶ5q ads_E:%61 atom_Eߟm1O slab_Ed ԕ+ str_Ee=1p /#plane_indexd.!Dipole_val? 7