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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems   ‡^&Ml„L„Ll= 789e879a255845d2e22f3501afef0517@5STd3RÞ@9$¹ŽýغyangxbOOOOOOOO/4×i¤e@Öÿ9Ì—×@$@\8’ @"ýöuà<@$@QÚ|a²ù?UMuÀ@$@Ã*ÞÈ<Ò@Üôg?RDï?$@5^ºI ‚@¯þ·’@$@}è‚ú–y @ ú'¸Xà?$@uš. @ŠvR~’ @$@´qÄZ|Šó?¬ò“j_@$@¶Û.4×iê?Âú?‡ùrö?$@û:pÎø @@M-[ë @$@£Ì™d¤@LÃðñ@$@"lxz¥ì@¬ÿs˜/o@$@ kwÐkŸ"@€€2ê ª¨@4@vasp{}ÀF,è넳ÀF2ק[Ï Vbž•´âK¿þÖN”„Dz¿€Vbž•´âK?þÖN”„Dz?€Vbž•´âK?þÖN”„Dz¿Vbž•´âK¿þÖN”„Dz?©MœÜïp?€Ÿqá@H&¿€©MœÜïp¿€Ÿqá@H&?©MœÜïp¿€Ÿqá@H&¿€©MœÜïp?€Ÿqá@H&?³~31]ˆu?Ò†Sææ[¿€³~31]ˆu¿Ò†Sææ[?€³~31]ˆu¿Ò†Sææ[¿³~31]ˆu?Ò†Sææ[?½AÒöˆz¿È_¨Þ÷?¼šòƒÕGF?€€€{"E": 0.24422382499999973, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}{} ?zw>š§Q?FGÕƒòš¼@–M„NmŒ@š`JKM ÜÜ#M 789e879a255845d2e22f3501afef0517 ôô  systems ðøð O  âúîâ  Si_rate  Au_rate E  ÇñÜÇ Si_rate?ÕUUUUUU Au_rate?åUUUUUU  E?ÏB¹î£· óó version9 ÜÜ#M 789e879a255845d2e22f3501afef0517 ôô  @5STd3RÞ öö  yangxb øø vasp õûõO  ãïûã Si_rate Au_rate E  ãïûã Si_rate Au_rate E