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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  ‡]&Ml„L„Ll; c19ca6bc5d9bf84637af1e592214965d@5STQgjò@8û}ÛßòyangxbOOOOOOOOõÖÀV î?¹ðè@$@‡¿&kÔã@á—úyS‘@$@äÚP1Î@( µ¦ùõ?$@Ø»?Þ«@®¶bÙ@$@ãüM@Ø*Áâp@$@bodyö?¥,Cë¢ @$@yuŽÙk@’Là–@$@©Ÿ7©ð@]ù,σ»ï?$@»DõÖÀVà?[Ó¼ãã?$@²€ ܺ›@3Ü€Ï@$@Tt$—ÿ @s×ò @$@< lÊ^@ÔHKåíÈ @$@ü?OO”¦@!‡#pmŸ"@4@vasp{}ÀF,d•*ôöÀF2S7áT©Ù­Àp¿®gÇ,{"?T©Ù­Àp?®gÇ,{"?øÂdª`Tr?Š)x ¹r?øÂdª`Tr¿Š)x ¹r?Gsdå—Áh¿µÿÖª]S¿€Gsdå—Áh?µÿÖª]S¿™Kª¶›à{¿ž¶Fãàr¿€™Kª¶›à{?ž¶Fãàr¿ãßg\8b?d?‹¥H¾"?ãßg\8b¿d?‹¥H¾"?€ˆ¸9• u¿F–̱¼«N?€ˆ¸9• u?F–̱¼«N?‹ï4–üá>ïh…cŒÜ¿T fZªaC?€€€{"E": 0.2445603716666668, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}{} ?€Õ†Ä¢?CaªZf T@–LìoE@š`JKM ÜÜ#M c19ca6bc5d9bf84637af1e592214965d ôô  systems ðøð O  âúîâ  Si_rate  Au_rate E  ÇñÜÇ Si_rate?ÕUUUUUU Au_rate?åUUUUUU  E?ÏMÁ\5 óó version9 ÜÜ#M c19ca6bc5d9bf84637af1e592214965d ôô  @5STQgjò öö  yangxb øø vasp õûõO  ãïûã Si_rate Au_rate E  ãïûã Si_rate Au_rate E