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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  W W‰&'M † † l' e4ed70c68ca0a257a1d929b4e1e53382@4s»W͆@9¤êµ‘þ/mse-guccgÕçj+¶ @gÕçj+¶ @ýM(DÀ!@›8¹ß¡ˆ@›8¹ß¡ˆ@ýM(DÀ!@ 7©0¶ü? 7©0¶ü?B`åÐ" @gÕçj+¶ @gÕçj+¶ @B`åÐ" @mçû©ñ’@ÄwbÖ‹¡ @•‚n/iŒý?B•š=ÐÊ @é·¯çŒü?•‚n/iŒý?ÄwbÖ‹¡ @mçû©ñ’@•‚n/iŒý?é·¯çŒü?B•š=ÐÊ @•‚n/iŒý?ZGUD@ÁÿV²cì?õ¾ñµg–@y@Ù”+ü@Ü)¬ÿs@õ¾ñµg–@ÁÿV²cì?ZGUD@õ¾ñµg–@Ü)¬ÿs@y@Ù”+ü@õ¾ñµg–@ 7©0¶ì? 7©0¶ì?† %Ì´í?¸éÏ~¤ˆ@¸éÏ~¤ˆ@† %Ì´í?¸éÏ~¤ˆ@¸éÏ~¤ˆ@ 3mÿÊJ@§‘–ÊÛñ@§‘–ÊÛñ@ 3mÿÊJ@έOº¦ ”¿fC™nß @uÄ^~`( @fC™nß @έOº¦ ”¿uÄ^~`( @³ÆÎK-¶ @³ÆÎK-¶ @vasp{}À`ô‹ZÒ¡À`ô‹ZÒ¡€æuÄ!Hg?€æuÄ!Hg?€æuÄ!Hg?€æuÄ!Hg?·_>Y1\ý>·_>Y1\ý>·_>Y1\ý>·_>Y1\ý>€ñ»é–âo¿€ñ»é–âo¿€ñ»é–âo¿€ñ»é–âo¿€–’å$”¾P?€–’å$”¾P?€–’å$”¾P?€–’å$”¾P?Sª< )ö¾Sª< )ö¾Æíó™-?€±¡œƒ..¿{"gap": 1.6683899999999987, "C_rate": 0.5, "mean_energy": 0.4320305575000001}{}?oâ–é»ñ?..ƒœ¡±@W¼¬TRš@hkdZ¬ ÜÜ#M e4ed70c68ca0a257a1d929b4e1e53382 ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?Û¦c~Õs C_rate?à gap?ú±¹¶o“0 óó version9 ÜÜ#M e4ed70c68ca0a257a1d929b4e1e53382 ôô  @4s»W͆ ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap