SQLite format 3@ .° ø° ?É í ^ é B • 8â˜Eì¢d°\%/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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  ] ]‰ 'M † † l 6c868733d279630eefcbb9b2a79af802@4s»ZZ¹9@9–h¨£mse-guccS"‰^F1 @ ú'¸ @îÎÚmª?‘~û:ðü?~8gDÉ@çŒ(íM @S\Uö]‘ü?RD†U¼‘™?.ÅUeß•ü? ¦aøˆ˜ý?Kvlâõ @=a‰”Mý?¨5Í;N‘ @¾¤1ZGUþ?OjMóü?rö´Ã @÷Hmâ¤@ñ€²)Wøü?º1=a‰ý?ÅrK«¡ý?Òo_ÎÙ @®,g¾ @±§þš, @¯Z™ðK½ @X­Lø¥~ì?ç½Þýí?A+0du«í?ºƒØ™Bç@D£;ˆ©@p”¼:Ç€í?M-[ë‹@:d¯w?@¾0™*Õ@ÙÎ÷Sãå@Y£¢ÑÝ@ŒÛho!@bod¹@U[rPî??:uå³¼@\8’ @sº,&6ß@½5°U‚Å@óÒo_í?ÃÓ+e¢@*¬ÿsØ@d@öz÷'@£uT5A4@"àªÔ @'FQ?&„¿?În2 @ìÓï—V @ýe:‘ÿ @×›¥PUŽ?uÓÁUùé @í±Š½k @[i$ÒÎ @¤QÈhùv?vasp{}À`®AðиÀ`®Aþ¨,ôÃáÑÆQ?ž Ž’WçX?š"Àé]¼_¿D‰–<ž–/¿êAA)Z¹7?’ËH¿}=¿pD÷¬k´?Í:ãûâRu¿!‘¶ñ'*K¿¸…ëQ¸^¿pIl†?Ù#S„b ü>ÈÃ’2¹T¿=š‡Ëœ·?T™ÇÈa?ñEâî£ù?{"gap": 0.7166479999999993, "C_rate": 0.5, "mean_energy": 0.5693094125}{}?€sÛW¦ý?·œË‡š=@Wœ¼÷@hkdZ¬ ÜÜ#M 6c868733d279630eefcbb9b2a79af802 ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?â7È_ÂX C_rate?à gap?æîÇÉWÍ@ óó version9 ÜÜ#M 6c868733d279630eefcbb9b2a79af802 ôô  @4s»ZZ¹9 ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap