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 : . 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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~ @8eyheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOaq8?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~.@8eyNheccOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOio*@j?j?Pk'@k ? 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