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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems   ‡^&Ml„L„Ll= 46da6def145ffaffad86ed4ca192bc69@5ST`7© @9$½‘Kû-yangxbOOOOOOOOW&üR?o@¸u7Ï@$@w-!ô @¶ä „9@$@Ñ–s)®ªù?¾0™*¸@$@ YÝêÙ@Ház®Gï?$@m­/Úò@' ‰°ái@$@l&ßls£@#J{ƒ/ì@$@ F%uú @¡„™¶@$@j¤¥òv„ê?XVš”‚nö?$@ªH…±…0 @§/ú ’ @$@®­,Žó?c—¨ÞX@$@/¨o™Ó…@a7l[”™@$@è0_^€} @±Ÿ`<à?$@iÄ/iJ¢"@€C°!m ¡@4@vasp{}ÀF-y割ÀF3xB Ú¼êó)O¿ì„—àÔb¿¼êó)O?ì„—àÔb?¼êó)O?ì„—àÔb¿¼êó)O¿ì„—àÔb?H0[wƒ¿Täqs*I¿H0[wƒ?Täqs*I?€H0[wƒ?Täqs*I¿€H0[wƒ¿Täqs*I?s.ÅUeßu¿Jññ Ùyk¿s.ÅUeßu?Jññ Ùyk?s.ÅUeßu?Jññ Ùyk¿€s.ÅUeßu¿Jññ Ùyk?€èx°ÐWéà>DÆöté¿,‚OŸ¡E?€€€{"E": 0.24385512583333332, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}{} ?ƒ‡™Å‰?E¡ŸO‚,@–KwuŠ e@š`JKM ÜÜ#M 46da6def145ffaffad86ed4ca192bc69 ôô  systems ðøð O  âúîâ  Si_rate  Au_rate E  ÇñÜÇ Si_rate?ÕUUUUUU Au_rate?åUUUUUU  E?Ï6¥5CË óó version9 ÜÜ#M 46da6def145ffaffad86ed4ca192bc69 ôô  @5ST`7© öö  yangxb øø vasp õûõO  ãïûã Si_rate Au_rate E  ãïûã Si_rate Au_rate E