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  a a‰'M † † l c954dde65a73f47257b3a51c5554a5b0@4s»[Y&@9–hÈ¿1‚mse-gucc›kã@rá@H0 @»¸ð @1”í*¤@Á‹¾‚4cý?»¸ð @ÐÐ?ÁŪ@mÊÞå" @Ñtv28Jý?ž{× @·]h®ÓHý?Ñtv28Jý?òÒMbXý?R›8¹ß¡ü?3ı.nã @Cç5v‰* @:é}ãkÏ @3ı.nã @sFZ*oì?ÐÐ?ÁÅŠí?r¿CQ Oí?îBsFš@Å1w-á@r¿CQ Oí?™õb('Úì?¼yªCnÆ@ÑË(–[Ú@0»' µ@¦ F%u"@ÑË(–[Ú@üo%;6Â@·bÙ=¹@2w-!@ã6À[ @$0ðÜ@2w-!@ “©‚QI?üã½jeÂü?;äf¸Ÿü?HŠÈ°Š7ý?@¼®ß @;äf¸Ÿü?‚”0“@,Ôšæ§í?â|~á@ÔMÖ@œPˆ€Cè@â|~á@‘œNåp”¿tŸÛ% @£!÷L @ƒ N£þ @Úê J¿R€Sö @ÚrEùü @ÚrEùü @vasp{}À`ªZ~§À`ªZ~§´“ÁQòê\¿´“ÁQòê\?;s ßû;?´“ÁQòê\¿´“ÁQòê\?;s ßû;?¯ÒÝu6äo?¯ÒÝu6äo¿g ­‡/S?¯ÒÝu6äo?¯ÒÝu6äo¿g ­‡/S?çóe¿çóe?;s ßû;?çóe¿çóe?;s ßû;? —8ò@da? —8ò@da¿Àx ýC? —8ò@da? —8ò@da¿Àx ýC?eþÑ7iT?eþÑ7iT¿Öÿ9Ì—'¿eþÑ7iT?eþÑ7iT¿Öÿ9Ì—'¿_´Ç éð`?_´Ç éð`¿§@fgÑ;e¿_´Ç éð`?_´Ç éð`¿§@fgÑ;e¿…³[Ëd8n¿…³[Ëd8n??«Ì”Öß"?…³[Ëd8n¿…³[Ëd8n??«Ì”Öß"?¹ŠÅo +U¿¹ŠÅo +U?íµ ÷Æà¾¹ŠÅo +U¿¹ŠÅo +U?íµ ÷Æà¾wÕ…éf*?wÕ…éf*?ì¯75õ¿¬=ˆ±-ð>¬=ˆ±-ð¾ç ©Œqò¿{"gap": 1.370958, "C_rate": 0.5, "mean_energy": 0.5776241549999996}{}?w­Œ6‹?*fé…Õw@W÷ žöV£@hkdZ¬ ÜÜ#M c954dde65a73f47257b3a51c5554a5b0 ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?â{å¦ãY( C_rate?à gap?õïq§ãx óó version9 ÜÜ#M c954dde65a73f47257b3a51c5554a5b0 ôô  @4s»[Y& ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap