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  W W‰&'M † † l' 4cc0362eae908690f9d2f3ea9f0f1fbe@4s»Xf@9–/<¬*Tmse-guccW ‡3ß@5˜†ác @¡JÍ @\[%Xœ@?RD†U¼ý?¡JÍ @»aÛ¢ÌÆ@Wx—‹ø @±á镲Œý?€·@‚â @ÃØBƒý?±á镲Œý?«ì»"ø @ü©ñÒMâü?‘¸ÇÒ‡Ž@Püs×Ò@ôàî¬Ýö @‘¸ÇÒ‡Ž@É<òÏý?óåØGü?;ªš êþ @Z*oG8m @}iÆ¢© @;ªš êþ @A¼®_°›@­nõœô¾í?–x@ÙÔ@d’‘³@¡g³êsõ@–x@ÙÔ@ê[ætYÌ@÷Ç{ÕÊÄ@u“V@ð3.)@÷éxÌ@%@u“V@ô¾ñµgì?:;%¯í?lCÅ8î?Éå?¤Ÿ@ÄZ| €ñ@lCÅ8î?³)Wx—‹í?MÖ¨‡¨@Ñõ-sº@bÖ‹¡œè@º,&6@Ñõ-sº@íÓ`$Vd¿pÄz‚ @Fo÷ @lˆ‚ýý @è3!_¢wS?Gfu @{¬ñl @{¬ñl @vasp{}À`Àè…ÐdÀ`ÀèÆøøO2: ûvr?2: ûvr¿wJëÿ\?2: ûvr?2: ûvr¿wJëÿ\?›ÿW9Òi¿›ÿW9Òi?mò–«k¿›ÿW9Òi¿›ÿW9Òi?mò–«k¿µˆ(&o€i¿µˆ(&o€i?9CqÇ›üV¿µˆ(&o€i¿µˆ(&o€i?9CqÇ›üV¿×Ùf/¿×Ùf/?ðÁk—6v?×Ùf/¿×Ùf/?ðÁk—6v?ÕÌZ Hû/¿ÕÌZ Hû/?«an÷ro¿ÕÌZ Hû/¿ÕÌZ Hû/?«an÷ro¿ê²˜Ø|\K¿ê²˜Ø|\K?OwžxÎ`¿ê²˜Ø|\K¿ê²˜Ø|\K?OwžxÎ`¿ÀnÝÍSM¿ÀnÝÍSM?é_’ÊsP?ÀnÝÍSM¿ÀnÝÍSM?é_’ÊsP?€I*SÌAp?€I*SÌAp¿^fØ(ë7c?€I*SÌAp?€I*SÌAp¿^fØ(ë7c?ÍȽ+Å?ÍȽ+Å?Yl¬×Ð?¨ª¼Ú„ž¨ª¼Ú„Å>NÙë&/É>{"gap": 0.5529429999999991, "C_rate": 0.5, "mean_energy": 0.5328822425000004}{}?{Òö ê?Å+½ÈÍ@Wìùä?R‘@hkdZ¬ ÜÜ#M 4cc0362eae908690f9d2f3ea9f0f1fbe ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?á _…8 C_rate?à gap?á±µ„±« óó version9 ÜÜ#M 4cc0362eae908690f9d2f3ea9f0f1fbe ôô  @4s»Xf ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap