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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  V V‰''M † † l) f37f01291e0f894a16f6b8b38c18f5e3@4s»]\zš@9–hĽ²lmse-guccHáz®G¡? ×£p= —? ×£p= —?Ê2ı.nü?ž˜õb(§ü? ×£p= —?Ê2ı.nü? ×£p= —?ž˜õb(§ü?Ház®G¡?ž˜õb(§ü?ž˜õb(§ü?F_Aš±è @8gDioý?8gDioý?ò^µ2áý?èŸàbEÍ @8gDioý?ò^µ2áý?8gDioý?èŸàbEÍ @F_Aš±è @èŸàbEÍ @èŸàbEÍ @FΞvøì?ˆc]ÜFí?ˆc]ÜFí?$ÑË(–û@ßlsczÂ@ßlsczÂ@Ù±ˆ×õí?ßlsczÂ@ßlsczÂ@³^ åD@nÀç‡"@nÀç‡"@|¸ä¸Sº@ßlsczÂ@˜Q,·´î?|¸ä¸Sº@˜Q,·´î?ßlsczÂ@|¸ä¸Sº@É“¤k&ÿ@ßlsczÂ@|¸ä¸Sº@ßlsczÂ@É“¤k&ÿ@×…)P @×…)P @ìÅ÷•lø @€×…)P @ìÅ÷•lø @×…)P @vasp{}À`Ù„mŒËÀ`Ù„mŒË“HÛøu¿Q3¤ŠâUv¿Q3¤ŠâUv¿“HÛøu?Q3¤ŠâUv?Q3¤ŠâUv¿“HÛøu?Q3¤ŠâUv¿Q3¤ŠâUv?“HÛøu¿Q3¤ŠâUv?Q3¤ŠâUv?wH1@¢ T?³B‘îçD?³B‘îçD?wH1@¢ T¿³B‘îçD¿³B‘îçD?wH1@¢ T¿³B‘îçD?³B‘îçD¿wH1@¢ T?³B‘îçD¿³B‘îçD¿€€ù0{ÙvÚz?€€ù0{ÙvÚz¿€€€íïlÞp_?íïlÞp_?€íïlÞp_¿€€íïlÞp_¿ð:yæD¿±1àý\;-¿±1àý\;-¿€€{"gap": 1.5852840000000015, "C_rate": 0.5, "mean_energy": 0.48482079375000087}{}?‚ü®­\O3?Dæy:ð@WÐw=ì|w@hkdZ¬ ÜÜ#M f37f01291e0f894a16f6b8b38c18f5e3 ôô  systems èøðè    ÝøíÝ# mean_energy  C_rate gap  ÂïÛÂ# mean_energy?ßMËdíÐ C_rate?à gap?ù]RÁmô óó version9 ÜÜ#M f37f01291e0f894a16f6b8b38c18f5e3 ôô  @4s»]\zš ôô  mse-gucc øø vasp ïûõï  ÞîùÞ#mean_energy C_rate gap  ÞîùÞ#mean_energy C_rate gap