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 4aebd9afaed8c195363e5ef1c57a91d9@4s»L¦¤@9‘é~‚mse-guccíõî÷ª @íõî÷ª @kÔC4ºƒˆ?,·´÷ü?,·´÷ü?kÔC4ºƒˆ?€H¿}x@˜`ú @Tƿϸpý?¾‡KŽ;¥ @Š“ûŠý?FB[Î¥¸ü?˜`ú @€H¿}x@Tƿϸpý?Š“ûŠý?¾‡KŽ;¥ @FB[Î¥¸ü?ú'¸XQƒ@ú'¸XQƒ@î v¦ @jö@+0ä @jö@+0ä @î v¦ @Á¨¤N@“@Á¨¤N@“@ ²ºÕí?"‰^F±œ@:¯±KTí?9Ñ®BÊ@Ánضè@`ÈêVω@9Ñ®BÊ@:¯±KTí?"‰^F±œ@9Ñ®BÊ@`ÈêVω@Ánضè@9Ñ®BÊ@˜Q,·´ú@˜Q,·´ú@ PSËÖ@N¹Â»\Äì?N¹Â»\Äì?ãǘ»–í?Á¨¤N@“@Á¨¤N@“@±Ÿ@FÿaÑÈu€¿ªž_£ËÔ @cÛÀ"aå @ªž_£ËÔ @FÿaÑÈu€¿cÛÀ"aå @ª<ŽÚUÄ @ª<ŽÚUÄ @vasp{}Àa<^tÕjÀa<^ŸÈˆt&mªîa?t&mªîa?ÚæÆô„%^¿t&mªîa¿t&mªîa¿ÚæÆô„%^¿å¶}úëE?å¶}úëE¿•ñï3.<¿À"¿~ˆ F¿À"¿~ˆ F?n…°KXk¿å¶}úëE¿å¶}úëE?•ñï3.<¿À"¿~ˆ F?À"¿~ˆ F¿n…°KXk¿ŸZ}uU V¿ŸZ}uU V¿îêUdt@B?ŸZ}uU V?ŸZ}uU V?îêUdt@B?€€Täqs*ù>Å<+iÅ7d?ÁÿV²c#P?LÃð1%b?ÁÿV²c#P¿Å<+iÅ7d¿LÃð1%b?ÁÿV²c#P?Å<+iÅ7d?LÃð1%b?Å<+iÅ7d¿ÁÿV²c#P¿LÃð1%b?€=îÎÚmG?€‚¬§V_]U?€ù¼â©GJ¿• µŒ…ƒÆ¾• µŒ…ƒÆ¾˜|X×Ù ¿€Ü)ðÈ ¿{"gap": 1.069604, "C_rate": 0.75, "mean_energy": 0.38345012687500013}{}?m€abÒÕô? Èð)Ü@WtÙ°×¥´@h8ƒn— ÜÜ#M 4aebd9afaed8c195363e5ef1c57a91d9 ôô  systems èøðè     ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?ØŠrf¤Ï° C_rate?è gap?ñz»ˆ óó version9 ÜÜ#M 4aebd9afaed8c195363e5ef1c57a91d9 ôô  @4s»L¦¤ ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap