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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  ® ®ŒO'ML‰ ‰ l= 6863f69a0c45c017a780596593dfbc4b@5ST]¹x@9 =XŒµyangxbOOOOOOOOOOOOOOOOüR?o*Rü?½Þýñž@$@ pÈ!@ú'¸XQS(@$@žÒÁú?g@ÞŽpZð¢õ?$@?RD†U| @€‚‹58 @$@ pÈ!@€‚‹58 @$@üR?o*Rü?ÞŽpZð¢õ?$@?RD†U| @ú'¸XQS(@$@žÒÁú?g@½Þýñž@$@GÉ«s (@N—ÅÄæãì?$@v28J^}@1”í*¤@$@“ãNé`=#@^.â;1k@$@_Ò­£ªð?aà¹÷p9)@$@v28J^}@aà¹÷p9)@$@GÉ«s (@^.â;1k@$@_Ò­£ªð?1”í*¤@$@“ãNé`=#@N—ÅÄæãì?$@B•šÝ @Ház® @$@£éìdpÔ@ö(\ÂE$@$@÷XúÐ@Ház® @$@°rh‘í<@ö(\ÂE$@$@.ÅUeßÙ?Ház® @$@µOÇcŠ$@ö(\ÂE$@$@N ^ôä@Ház® @$@Œ¡œhWÁ@ö(\ÂE$@$@V:€ÇµR%@€A*7ä®+@4@vasp{}ÀUý2ä#*§ÀVËaÈqôLy ²Hs?ΈÒÞà c?Ly ²Hs¿ÎˆÒÞà c?Ly ²Hs?ΈÒÞà c¿Ly ²Hs¿ÎˆÒÞà c¿Ly ²Hs¿ÎˆÒÞà c¿Ly ²Hs?ΈÒÞà c¿Ly ²Hs¿ÎˆÒÞà c?Ly ²Hs?ΈÒÞà c?ÅÈ’9–wu?š±h:;|¿ÅÈ’9–wu¿š±h:;|¿€ÅÈ’9–wu?š±h:;|?€ÅÈ’9–wu¿š±h:;|?€ÅÈ’9–wu¿š±h:;|?€ÅÈ’9–wu?š±h:;|?ÅÈ’9–wu¿š±h:;|¿ÅÈ’9–wu?š±h:;|¿—=Ô¶at¿€—=Ô¶at?€€—=Ô¶at¿€—=Ô¶at?€€Y1\qw¿€€Y1\qw?€Y1\qw¿€€Y1\qw?€âfwYo›?J l?‹¹NA­B?€€€{"E": 0.27528570208333364, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}{}?®%Ïa‚ó?B­AN¹‹@¦ƒ¢_èi@ª`JKM ÜÜ#M 6863f69a0c45c017a780596593dfbc4b ôô  systems ðøð O  âúîâ  Si_rate  Au_rate E  ÇñÜÇ Si_rate?ÕUUUUUU Au_rate?åUUUUUU  E?ÑžGëàF» óó version9 ÜÜ#M 6863f69a0c45c017a780596593dfbc4b ôô  @5ST]¹x öö  yangxb øø vasp õûõO  ãïûã Si_rate Au_rate E  ãïûã Si_rate Au_rate E