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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  T T‰)'M † † l- b3667b482678f713e53f4b95bada4bb4@4s»_«Ro@9–ræzÏxmse-gucc|DL‰$zi?rPÂLÛ¿¢?rPÂLÛ¿¢?Ê7Ûܘž@jÁ‹¾‚´ü?rá@Hð @Ê7Ûܘž@rá@Hð @jÁ‹¾‚´ü?Á=~ï @t È^ï~ý?t È^ï~ý?ÿ .VÔ`Z¿¾Á&S…ü?¾Á&S…ü?L‰$zÅý?+‡ÙÎ÷ @=›UŸ+ý?L‰$zÅý?=›UŸ+ý?+‡ÙÎ÷ @ŸåypwÖ @ËÛN ž @ËÛN ž @¯_°¶ @Mg'ƒ£ä@Mg'ƒ£ä@ù÷Ä@kHÜcé@1Îß„BÄ@ù÷Ä@1Îß„BÄ@kHÜcé@XÅ™Gþì?77¦',ñì?77¦',ñì?8¾öÌ’€@ÿ••&¥à@c´Žª&ˆí?8¾öÌ’€@c´Žª&ˆí?ÿ••&¥à@–çÁÝY»í?Fë¨j‚¨@Fë¨j‚¨@è0_^€@ Òo_@ Òo_@É‚év…¿”jë @”jë @Ά/%( @ïéŠf„¿û‹  @Ά/%( @û‹  @ïéŠf„¿vasp{}À`Û_<iÌÀ`Û_<iÌ©/K;5—K?t^c—¨ÞZ?t^c—¨ÞZ?E+÷³Ba?ÕÌZ Hû?Aš±h:;Y?E+÷³Ba?Aš±h:;Y?ÕÌZ Hû?û®þ·’m¿ù¿#*T7g¿ù¿#*T7g¿¬ä.ÂT?fLÁgÓ¿fLÁgÓ¿d!:ŽZ?KZñ …Ïv?í ¾0™*X?d!:ŽZ?í ¾0™*X?KZñ …Ïv?¿cxìg±d?Å<+iÅ7d¿Å<+iÅ7d¿,amŒðb?Ts¹ÁP‡e?Ts¹ÁP‡e?VñFæ‘?X?¡g³êsµU¿E„4fb?VñFæ‘?X?E„4fb?¡g³êsµU¿()°¦ n‡—M±D?n‡—M±D?{"gap": 1.4995860000000008, "C_rate": 0.375, "mean_energy": 0.43521873125000043}{}?‚ô¬{?W”K”S@Wò|'b%µ@h„Ôýó¶F ÜÜ#M b3667b482678f713e53f4b95bada4bb4 ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?ÛÚŸªTÒÈ C_rate?Ø gap?÷þM㸡  óó version9 ÜÜ#M b3667b482678f713e53f4b95bada4bb4 ôô  @4s»_«Ro ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap