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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems   ‹h'M<ˆ,ˆ,l? 2a717f73b745e2eac59259434437d585@5ST~Ð_±@8ßËÄÐyangxbOOOOOOOOOOOOOOp±¢Óð@}"O’®¹@$@p±¢Óð@Ä|yöQ@$@ÿ²{ò°@$@_ÎQ@$@åòÒo@€$@)\Âõh&@€$@qUÙwE€&@þHVñ@$@üo%;6 @þHVñ@$@TŒgÐp@€$@¸XQƒi¸!@€$@âX·Ñ0+@þHVñ@$@rÄZ| ö?þHVñ@$@€$@p±¢Óð@þHVñ@$@û®þ·Â#@¹6TŒó—@$@ÎSr3\@LTo l•@$@û®þ·Â#@LTo l•@$@ÎSr3\@¹6TŒó—@$@ YÝê9)@_{fI€šþ?$@Ÿ`<ƒ&)@#óÈ <@$@ YÝê9)@#óÈ <@$@Ÿ`<ƒ&)@_{fI€šþ?$@ÖÚíÑð-@€·>ÚoUñ!@4@vasp{}ÀTq²a1ÀTwOÉ sŸˆ‚i¿sŸˆ‚i?sŸˆ‚i¿sŸˆ‚i?€ÒƒN=¿€ÒƒN=?€€ÒƒN=¿€ÒƒN=?€`"Þ:ÿvy?€€`"Þ:ÿvy¿€`"Þ:ÿvy?€€`"Þ:ÿvy¿€€€À"¿~ˆ f?>?Œml¿€À"¿~ˆ f¿>?Œml?À"¿~ˆ f?>?Œml?À"¿~ˆ f¿>?Œml¿À"¿~ˆ f?>?Œml¿À"¿~ˆ f¿>?Œml?À"¿~ˆ f?>?Œml?À"¿~ˆ f¿>?Œml¿€\tå©Zù>G‚ȹ¿W¿CA?€€€{"E": 0.29046390045454534, "Au_rate": 0.6363636363636364, "Si_rate": 0.36363636363636365}{}?yvÿ:Þ"`?AC¿W@¤ü,l¦uê@§Ll†Î»¼ ÜÜ#M 2a717f73b745e2eac59259434437d585 ôô  systems ðøð O  âúîâ  Si_rate  Au_rate E  ÇñÜÇ Si_rate?×EÑt]F Au_rate?ä]EÑt]  E?Ò–õæG¼] óó version9 ÜÜ#M 2a717f73b745e2eac59259434437d585 ôô  @5ST~Ð_± öö  yangxb øø vasp õûõO  ãïûã Si_rate Au_rate E  ãïûã Si_rate Au_rate E