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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  T T‰)'M † † l- 97aae93a98643e3b115cf82e3a520a77@4s»eA*/@9–r䳪gmse-guccf½ʉv…? ˜À­»ù @ ˜À­»ù @÷uàœ%ý?šë4ÒRùü?ྜ3¢¤?÷uàœ%ý?ྜ3¢¤?šë4ÒRùü?Íui©¼ @šë4ÒRùü?šë4ÒRùü?#J{ƒ/L¦?)³A&9ý?)³A&9ý?h®ÓHKåü?gaO;üµ @)³A&9ý?h®ÓHKåü?)³A&9ý?gaO;üµ @q¬‹Ûh @ µ‰“û @ µ‰“û @¨:äf¸í?¢ÑÄÎ@¢ÑÄÎ@„dí?·(³A&í?·(³A&í?›æ§èÈ@+‡ÙÎ@·(³A&í?›æ§èÈ@·(³A&í?+‡ÙÎ@ioð…É@¿‚4cÑô@¿‚4cÑô@ÜN ^ô@Û§ã1@ÆŠLÃð@ÜN ^ô@ÆŠLÃð@Û§ã1@fk}‘Ð@Û§ã1@Û§ã1@Ù®˜(zT¿b$ÅÀ @b$ÅÀ @·I3€1 @€·I3€1 @·I3€1 @·I3€1 @vasp{}Àat¦$íJÀat¦$íJ°t>õM)n#3û>õM)n#3û>įà¿ý‘?įà¿ý‘¿Ä¯à¿ý‘¿{"gap": 3.0808039999999988, "C_rate": 0.125, "mean_energy": 0.25911785125000053}{}?|£òPÖ3Y?‘ý¿à¯Ä@Wùíe×p@h·¶E¡ÊÀ ÜÜ#M 97aae93a98643e3b115cf82e3a520a77 ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?Еc ;mH C_rate?À gap@¥|‘K| óó version9 ÜÜ#M 97aae93a98643e3b115cf82e3a520a77 ôô  @4s»eA*/ ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap