SQLite format 3@ .  ? ^ B 8Ed\%/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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems ^'M<ur~p>urxM̿Oz1Oz1]1#=??Û5x?3z9?ۊe?3z9??Û5x?ۊe?8WV8WV8 Q? N? N?ZQfs&o?-ur?~p>ur?xM̿E4frE4fr?tBK?VIddYti?x>ƿtiVIddY?x>ƿKe%?Ke%tBK¿ʦ|ʦ|?0^|Քd]?<͌~4?g`eM,<͌~4Քd]g`eM,^+$Κ^+$Κ?Iطc?ʉv?ʉvfh<ǿOqI~įX?g67I~įXOq?g67lZ)rlZ)r?b('E4fr?E4frtBK?VIddY?tix>ƿti?VIddYx>ƿKe%Ke%?tBK¿ʦ|?ʦ|0^|Քd]<͌~4g`eM,<͌~4?Քd]?g`eM,^+$Κ?^+$ΚIطc?ʉvʉv?fh<ǿOq?I~įXg67I~įX?Oqg67lZ)r?lZ)rb('k, P6aW?6aW?Vk]?}p!?ިc^t{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -191.759, "absorption_energy": -22.121, "layer_distance": 1.43, "delta_charge_bader": 0.69, "dipole_bader": 4.743, "delta_charge_hirf": 0.661, "dipole_hirf": 4.541, "index": "(100)", "absorped_atom": "F", "absorped_pos": "b"}{}1?)BO<?Wa6@g"@i #M ff99c82f887bf969c32841f323d78039   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posb' absorped_atomF index(100) jN. # dipole_hirf@)lD/ delta_charge_hirf?&x% dipole_bader@F1 delta_charge_bader?zG) layer_distance?Gz/ absorption_energy6"(E absorption_structural_energygI^5?$= adsorption_atomic_energy"`A%? adsorption_surface_energye&+  version9 #M ff99c82f887bf969c32841f323d78039   @5 *kI  hecc  vasp    e>T.$|%absorped_pos 'absorped_atom index #dipole_hirf /delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy %absorped_pos'absorped_atom index .e>T.|#dipole_hirf /delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy