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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  _ _‰'M † † l 1805adc981c37fac13a325c0bd25ef71@4s»SQ¨ù@9–E­˜‘«mse-guccOÌz1” @Ÿ<,Ôšæ?ä „™¶? @â镲 ±@M„ O¯ý?ä „™¶? @J˜iûWÖü?GÉ«s ÈŽ?ä1•ñïü?a7l[”Y @¸éÏ~¤ˆü?ôø½Mv@Ó‡.¨o™ý?Sè¼Æ.Ñ @æypwÖîü?y@Ù”+¼ý?´CV·úü? ý\¬è @ãª²ïŠ @9î”Ö¿ @ ý\¬è @·—4Fë¨ì?åÐ"Ûù~í? Äëú»í?—­õEBÛ@ßà “©Â@mçû©ñÒí?#óÈ ¼@ezˆFwí?Lý¼©HÅ@rÄZ| @R›8¹ßá@Lý¼©HÅ@ÜFx ä@`åÐ"Û¹@ø6ýÙ@î v¦0@¸ŸF(@~têÊg@ý0Bx´ñ @ñº~ÁnXý?¨©ek}ý?ÊÃB­iÞí?–C‹lç»@‹Ã™_ÍÁ@àJvlâ@¥½Á&@‹Ã™_ÍÁ@FÂþ¸ë?ÑkÒ¾Ðó @ÊôÒ‹ñ @¥ª””w @°€¬!G?fž™¶8 @mÅf–ð @mÅf–ð @vasp{}À`©)ÌJÙÀ`©)âV÷´ûÌYŸrLV?$DiâM¿D6.6­T?$DiâM?ûÌYŸrLV¿D6.6­T?ã‹öx!^?ã‹öx!^¿}•|ì.Pr?…³[Ëd8n?…³[Ëd8n¿éd©õ~£m¿üI‚pt?üI‚pt¿}“EÖZ¿§"Æ‚L?Ênfô£át?tϺFË~¿Ênfô£át¿§"Æ‚L¿tϺFË~¿ébÓJ!p¿ébÓJ!p?BwIœQs¿Pmp–b?Pmp–b¿åÒø…Wr?RH2«w¸M¿­lò–«o?<ÁþëÜ´Y¿­lò–«o¿RH2«w¸M?<ÁþëÜ´Y¿™ò!¨½¿™ò!¨½?¢&ú|”W?ÁXßÀäFq¿ÁXßÀäFq?M‚7¤Qs?Ižëûp`¿Ižëûp`?yxÏåi¿õdþÑ7iJ?™D½àÓl¿¨ükyåz{?™D½àÓl?õdþÑ7iJ¿¨ükyåz{?ºYDãÓÀ¿ºYDãÓÀ¿ªô¼’ Ñ?éb-t$?éb-t$¿ÍDÐ£Ï ?{"gap": 0.690887, "C_rate": 0.625, "mean_energy": 0.6252358025000007}{}?‚‘ø«Õ’ý?$t-bé@W× ÓKÀ%@hQó¶E¡Ê ÜÜ#M 1805adc981c37fac13a325c0bd25ef71 ôô  systems èøðè     ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?äӀ C_rate?ä gap?æ¿ Çhà óó version9 ÜÜ#M 1805adc981c37fac13a325c0bd25ef71 ôô  @4s»SQ¨ù ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap