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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems ÞÞŽ'MlŠLŠLl= 81d5478350882db76b32075240f5a10e@5ST¹÷•@98µ¼|þyangxbOOOOOOOOOOOOOOOOOOOO]á].â; @À&kÔC”(@$@ébg ­#@$0ðÜ{ê?$@$0ðÜ{ê?]á].â; @$@À&kÔC”(@ébg ­#@$@@Þ«V&< @³ïŠà‹@$@°N]ù¬#@Íh†ì@$@Íh†ì@@Þ«V&< @$@³ïŠà‹@°N]ù¬#@$@—ÿ~ûz@ı.n£ï?$@æ®%äƒ~ @–C‹lçK(@$@–C‹lçK(@—ÿ~ûz@$@ı.n£ï?æ®%äƒ~ @$@j¼t“û?yX¨5Í[@$@$—ÿ~Û&@¶J°8@$@¶J°8@j¼t“û?$@yX¨5Í[@$—ÿ~Û&@$@9î”Öÿú?ýŸÃ|yï?$@ë›áÜ&@@M-[ëK(@$@@M-[ëK(@9î”Öÿú?$@ýŸÃ|yï?ë›áÜ&@$@#óÈ |@ÏkìÕ[@$@ µ‰“û} @±¢Ó0@$@±¢Ó0@#óÈ |@$@ÏkìÕ[@ µ‰“û} @$@£’:­#@£’:­#@$@².n£< @².n£< @$@².n£< @£’:­#@$@£’:­#@².n£< @$@šºó<*@ßA:ÜÅ)¾ßA:ÜÅ)>šºó<*@4@vasp{}ÀY5gQ]j¿ÀY:`ð%ñh㈵ø¿‹ŒH¾m¿€ñh㈵ø?‹ŒH¾m?€‹ŒH¾m?ñh㈵ø¿€‹ŒH¾m¿ñh㈵ø?€ñh㈵ø?‹ŒH¾m?€ñh㈵ø¿‹ŒH¾m¿€‹ŒH¾m¿ñh㈵ø?€‹ŒH¾m?ñh㈵ø¿ª$ïÊp?ÄÐêä Åm?ª$ïÊp¿ÄÐêä Åm¿€ÄÐêä Åm¿ª$ïÊp?€ÄÐêä Åm?ª$ïÊp¿ª$ïÊp¿ÄÐêä Åm¿ª$ïÊp?ÄÐêä Åm?€ÄÐêä Åm?ª$ïÊp¿€ÄÐêä Åm¿ª$ïÊp?*ãßg\8p?ÿ!ýöuàl?*ãßg\8p¿ÿ!ýöuàl¿ÿ!ýöuàl¿*ãßg\8p?€ÿ!ýöuàl?*ãßg\8p¿*ãßg\8p¿ÿ!ýöuàl¿*ãßg\8p?ÿ!ýöuàl?ÿ!ýöuàl?*ãßg\8p¿ÿ!ýöuàl¿*ãßg\8p?€€€€€*Xü ¿*Xü ¿s°9”õ@?€€€{"E": 0.23290817785714296, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}{}?vpB“?@õ”9°s@ªâpÜ´7@°DéÌ·Õ ÜÜ#M 81d5478350882db76b32075240f5a10e ôô  systems ðøð O  âúîâ  Si_rate  Au_rate E  ÇñÜÇ Si_rate?ÒI$’I$’ Au_rate?æÛm¶Ûm·  E?ÍÏïgoR óó version9 ÜÜ#M 81d5478350882db76b32075240f5a10e ôô  @5ST¹÷• öö  yangxb øø vasp õûõO  ãïûã Si_rate Au_rate E  ãïûã Si_rate Au_rate E