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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  X X‰%'M † † l% 37092a706251bc5beba92b950ee2e43e@4s»V ÷a@9–/<ü|âmse-guccy]¿`7l›?y]¿`7l›?y]¿`7l›?Žé K<€@Žé K<€@KÈ=›Õ@Žé K<€@KÈ=›Õ@Žé K<€@KÈ=›Õ@Žé K<€@Žé K<€@H0[÷ @ŠÈ°Š72ý?ŠÈ°Š72ý?ŠÈ°Š72ý?H0[÷ @ŠÈ°Š72ý?ŠÈ°Š72ý?ŠÈ°Š72ý?H0[÷ @¦]Pß² @¦]Pß² @¦]Pß² @Ï#„ç@óYžw§@óYžw§@óYžw§@Ï#„ç@óYžw§@óYžw§@óYžw§@Ï#„ç@¸’ø@¸’ø@¸’ø@ì£SW>Ëì?ì£SW>Ëì?ì£SW>Ëì?¨þš¬‘@¨þš¬‘@3d’‘³í?¨þš¬‘@3d’‘³í?¨þš¬‘@3d’‘³í?¨þš¬‘@¨þš¬‘@ü,‡C‘¿! MéËä @! MéËä @! MéËä @ü,‡C‘¿! MéËä @! MéËä @! MéËä @ü,‡C‘¿vasp{}Àa‚Û—jëÀa‚Û—jëÕ[[%XL¿Õ[[%XL¿Õ[[%XL¿b…[>’’N¿b…[>’’N¿c€D(bQ¿b…[>’’N¿c€D(bQ¿b…[>’’N¿c€D(bQ¿b…[>’’N¿b…[>’’N¿ðk$ Â%¿àºbFx{P?àºbFx{P?àºbFx{P?ðk$ Â%¿àºbFx{P?àºbFx{P?àºbFx{P?ðk$ Â%¿3mÿÊJ“r¿3mÿÊJ“r¿3mÿÊJ“r¿uÊ£aQq?W˜¾×g?W˜¾×g?W˜¾×g?uÊ£aQq?W˜¾×g?W˜¾×g?W˜¾×g?uÊ£aQq?x`áC‰f¿x`áC‰f¿x`áC‰f¿5Ð|ÎÝ®g¿5Ð|ÎÝ®g¿5Ð|ÎÝ®g¿MÛ¿²Ò¤4¿MÛ¿²Ò¤4¿1е/ g?MÛ¿²Ò¤4¿1е/ g?MÛ¿²Ò¤4¿1е/ g?MÛ¿²Ò¤4¿MÛ¿²Ò¤4¿sè—˜ˆ~ ?sè—˜ˆ~ ?sè—˜ˆ~ ?Ló¶lÃ>Ló¶lÃ>Ló¶lÃ>{"gap": 2.256984000000001, "C_rate": 0.5, "mean_energy": 0.3598297593750006}{}?€4-Vœ? ~ˆ˜—ès@W¸±š'Xž@hkdZ¬ ÜÜ#M 37092a706251bc5beba92b950ee2e43e ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?×sf))Ð C_rate?à gap@M œÃ óó version9 ÜÜ#M 37092a706251bc5beba92b950ee2e43e ôô  @4s»V ÷a ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap