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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  W W‰&'M † † l' fb9d6054f5d71ca960c7ad9067bb16b9@4s»Y»,f@9¤êµžmmse-guccÎß„Bü@]¢zk` @]¢zk` @¨ã1•Ñ@‚Êø÷þ?]¢zk` @¨ã1•Ñ@]¢zk` @‚Êø÷þ?v28J^ @PÇc*cý?PÇc*cý?Qèy’¤?Îüjü?Îüjü?æ‘?x@‡P¥æ @%Ì´ý‹@æ‘?x@%Ì´ý‹@‡P¥æ @=›UŸë @‡P¥æ @‡P¥æ @J$ÑË(Ö@Ôñ˜Êø@]ÜFx î?J$ÑË(Ö@]ÜFx î?Ôñ˜Êø@ƒ/L¦ &@Ôñ˜Êø@Ôñ˜Êø@Â(›R@¬ÿs˜//@¬ÿs˜//@'ÚUHùIì?WCâKî?WCâKî?{ ²ºí?œ¢#¹üÇ@œ¢#¹üÇ@‚sF”ö@W²c#0@œ¢#¹üÇ@‚sF”ö@œ¢#¹üÇ@W²c#0@òÒ,T'5’?fn‹ 8 @fn‹ 8 @ôko¢4 @€ôko¢4 @ôko¢4 @ôko¢4 @vasp{}À`oÕeݪkÀ`oÕñ©{™cyW=`n?ý¡™'×4¿ý¡™'×4¿ý¡™'×4?™cyW=`n¿ý¡™'×4¿ý¡™'×4?ý¡™'×4¿™cyW=`n¿Ælɪ7Y¿Ælɪ7Y?Ælɪ7Y?®gÇ,{R¿®gÇ,{R?®gÇ,{R?ˆWÎÞy¿ˆWÎÞy?¤6qr¿Cq?ˆWÎÞy¿¤6qr¿Cq?ˆWÎÞy?¤6qr¿Cq¿ˆWÎÞy?ˆWÎÞy?·$ìjòd?·$ìjòd¿N ^ô¤Y¿·$ìjòd?N ^ô¤Y¿·$ìjòd¿N ^ô¤Y?·$ìjòd¿·$ìjòd¿Oʤ†6¿Oʤ†6?Oʤ†6?ñJ’çú>L¿ñJ’çú>L?ñJ’çú>L?/Á©$ï|?t|´8c˜S¿t|´8c˜S¿t|´8c˜S?/Á©$ï|¿t|´8c˜S¿t|´8c˜S?t|´8c˜S¿/Á©$ï|¿ž<¹ ?ž<¹ ?ž<¹ ?”ÑG$¿”ÑG$?”ÑG$?{"gap": 0.5676349999999992, "C_rate": 0.5, "mean_energy": 0.6912312781249996}{}?„:A8ßq.?$GÑ”@X&[C ¾Ñ@hkdZ¬ ÜÜ#M fb9d6054f5d71ca960c7ad9067bb16b9 ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?æ‘°œè C_rate?à gap?â*à" óó version9 ÜÜ#M fb9d6054f5d71ca960c7ad9067bb16b9 ôô  @4s»Y»,f ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap