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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems `'M<"@^)?:&@4cѴ@_@=$@-@^)??_@?^) @^)??^) @_@?^)?VF@_@.@^) @^)?.@^) @_@&@^)?h?RD"@_@H"@^) @^)?H"@^) @_@-D"@^)??^)?^) @?_@?_@^) @?:M?HPh?W}@:M?_L @W}@r@HPh?W}@r@_L @W}@+?+H3?іs)"@+?d @іs)"@P2@+H3?іs)"@P2@d @іs)"@^) @_@ %@o@o@ME8@vasp{}g9hhIg9hhI)Xl:? Lu?)Xl: Lu?6ʪ?1%?6ʪ1%?x $(~2{?x $(~?2{?5'/2?d?5'/2d?@fg;t=ѭ@fg;?t=ѭW?@N0ǿW@N0ǿ)Xl: Lu?6ʪ1%?)Xl:? Lu?6ʪ?1%?x $(~?2{?5'/2d?x $(~2{?5'/2?d?@fg;?t=ѭW@N0ǿ@fg;t=ѭW?@N0ǿT#V 3?V 3?-\n0¿;ޔ?;ޔ?NT\7˿TTb('ڹ@ޫV&?@ޫV&P\ǿ@ޫV&?@ޫV&?P\ǿ@ޫV&@ޫV&P\ǿ@ޫV&@ޫV&?P\ǿwLݕ]0?wLݕ]0!K?wLݕ]0?wLݕ]0?!K?wLݕ]0wLݕ]0!K?wLݕ]0wLݕ]0?!K?si+Insi+In?˼Uסsi+Insi+In˼Uסsi+In?si+In?˼Uסsi+In?si+In˼UסjjҠ?LG?LG?R7??"{,g{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -191.257, "absorption_energy": -21.619, "layer_distance": 1.842, "delta_charge_bader": 0.647, "dipole_bader": 5.723, "delta_charge_hirf": 0.656, "dipole_hirf": 5.803, "index": "(100)", "absorped_atom": "F", "absorped_pos": "t"}{}1?}c]?GĆL@g"@i #M 94dfc8147efa6b97b81d2a5d590280fc   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_post' absorped_atomF index(100) jN. # dipole_hirf@6E/ delta_charge_hirf?E% dipole_bader@Z11 delta_charge_bader?9XbN) layer_distance?xF/ absorption_energy5vȴ9X(E absorption_structural_energyg9XbN$= adsorption_atomic_energy"`A%? adsorption_surface_energye&+  version9 #M 94dfc8147efa6b97b81d2a5d590280fc   @5 * o5  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