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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  U U‰('M † † l+ 9583b59cb5bf262c16588b868011c603@4s»K“ÇT@9‘Ë ÌÞþmse-gucc@Þ«V&¼ @@Þ«V&¼ @¶Û.4ש@ÐDØðôü?‹T[r?°æÁ½ü?—­õEB› @lìÕ[ƒü?°æÁ½ü?‹T[r?ÐDØðôü?°æÁ½ü?lìÕ[ƒü?—­õEB› @°æÁ½ü?|~!¼ü?|~!¼ü?cÙ=y˜ @@Þ«V&¼ @@Þ«V&¼ @:¯±KÔ @=~oÓŸì?=~oÓŸì?ŒÖQÕQí?ùNÌz1”@ùNÌz1”@ŒÖQÕQí?M¾ÙæÆt@ÌH¿}í?”ûŠ}@B 3mÿê@ü©ñÒM¢@:#J{ƒo@ÌH¿}í?M¾ÙæÆt@”ûŠ}@ü©ñÒM¢@B 3mÿê@:#J{ƒo@g,šÎN†@g,šÎN†@‰ê­­ò@ È^ïþø@ È^ïþø@‰ê­­ò@|~!¼ü?|~!¼ü?”¤k&ßl“?ꊓ§üC¿+†÷‘e½ @í"ž$¹ @+†÷‘e½ @ꊓ§üC¿í"ž$¹ @ó Ð%¼ @ó Ð%¼ @vasp{}Àa—w‡ìÀa—w‡ì€-ê“Üay¿Tb.äa¿Û¥ ‡¥_? ¹§«;f?Û¥ ‡¥_¿Tb.äa? ¹§«;f?Û¥ ‡¥_?Tb.äa¿ ¹§«;f?Tb.äa?Û¥ ‡¥_¿ ¹§«;f?€‘BYøúZg?€×÷á !ÊG? ò³‘ë¦d¿ ò³‘ë¦d¿„ äÙå[O? ò³‘ë¦d? ò³‘ë¦d?„ äÙå[O?¾¤1ZGUS?¾¤1ZGUS¿­nõœô¾¿}’;l"3g¿}’;l"3g?IŸVÑ?¾¤1ZGUS¿¾¤1ZGUS?­nõœô¾¿}’;l"3g?}’;l"3g¿IŸVÑ?Täqs*i?Täqs*i? 7©0¶@?Täqs*i¿Täqs*i¿ 7©0¶@?€GãP¿ [ƒ¿Ý-E|Ë´?Ý-E|Ë´?nxÔ@ò$?€œ*u}Þ#?{"gap": 1.7183539999999997, "C_rate": 0.875, "mean_energy": 0.2517521137500003}{}?ƒ[ ¿PãG?$ò@Ôxn@W+/Yј+@hn—P ÜÜ#M 9583b59cb5bf262c16588b868011c603 ôô  systems êùñê    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?дåÐSð C_rate?ì gap?û~`Ã6h óó version9 ÜÜ#M 9583b59cb5bf262c16588b868011c603 ôô  @4s»K“ÇT ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap