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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  W W‰&'M † † l' 4289ba4f0ca2bcd637c6c61a0bddf761@4s»[§¾Z@9–hÀ¸Ú)mse-guccÎSr3Ü @Ø*ÁâpÆ@†8ÖÅm4 @Úþ••&¥@du«ç¤÷ü?†8ÖÅm4 @ÎSr3Üü?du«ç¤÷ü?†8ÖÅm4 @ÎSr3Ü @"O’®™¼ @†8ÖÅm4 @Úþ••&¥@v¦Ðy½@eª`TRç@ÎSr3Ü @^KÈ=ý?†8ÖÅm4ý?ÎSr3Ü @^KÈ=ý?eª`TRç@ÎSr3Üü?_F±ÜÒª @†8ÖÅm4ý?Úþ••&¥@¶J°8œ@¹ˆïĬî?aTR'  @¶J°8œ@XVš”‚®@ÎSr3Üì?¶J°8œ@XVš”‚®@Úþ••&¥@¶J°8œ@Z ‰{,]@ÎSr3Üì?ÿÊJ“RÐì?¾Ÿ/Ý$î?Úþ••&¥@ÿÊJ“RÐì?^.â;1«@Úþ••&¥@§\á].@^.â;1«@aTR'  @§\á].@;pΈÒ^@ÛOT£HÐ @cŠÀøl4 @'_´4Ü @€cŠÀøl4 @'_´4Ü @ÛOT£HÐ @vasp{}À`ñê>`À`ñê>`€îêUdt@r¿€îêUdt@r?îêUdt@r?€îêUdt@r¿€€dæ—Çša¿€dæ—Çša?dæ—Çša?€dæ—Çša¿€€µpY…Íg¿€µpY…Íg?€µpY…Íg?€µpY…Íg¿€Oʤ†6+¿€Oʤ†6+?€Oʤ†6+?€Oʤ†6+¿v3muÑ€ã>0!²GÑè¾[…Q2F+?€€{"gap": 2.098928000000001, "C_rate": 0.5, "mean_energy": 0.43716721812500037}{}?r@tdUêî?+F2Q…[@W·m)ša5@hkdZ¬ ÜÜ#M 4289ba4f0ca2bcd637c6c61a0bddf761 ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?ÛúŒ6.»0 C_rate?à gap@ÊšÃeE óó version9 ÜÜ#M 4289ba4f0ca2bcd637c6c61a0bddf761 ôô  @4s»[§¾Z ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap