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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems `'M<"Dr?iV@^)?!vy?^)?u@D@^)?!vy?a@^)?Nz1@^)?!vy?HP@^)?Mb@!'>@!vy@([Z?r)?Gɫs$@8gDi@"Dr?iV@_@!vy?_@QOI@\m~@_@!vy?$@_@Nz1@_@!vy?Y@_@6@ 1z@^) @!vy@([Z?bJ$ @Gɫs$@8gDi@`q8+ @W}W@iV@ŏ1w@([Z?%jj?~n@Y@@ރ@s{@^)?bհ@^)??m!@D@^)?bհ@ʉvR@^)?@z!@^)?bհ@'X@^)?%!@!'>@4@([Z?%jj?_FҊ@Y@@ Ac@s{@^) @ŏ1w@([Z?R\U @~n@Y@ % @ރ@s{@_@bհ@_@!A!@\m~@_@bհ@q]@_@@z!@_@bհ@nS@_@DQO "@ 1z@^) @4@([Z?R\U @_FҊ@Y@ % @ Ac@s{@_@bհ@r]@o@q?w$@,. 6l5@vasp{}ffBD? w?~ۿ8ߡ(?XO0~l\ό?~֤ ܺUo?Rg?i{w?1A ºx( <=~o?Oc*ڿӾz܇5"KC}?9+&|??C`?c[;?W]x"y?p&{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -182.123, "absorption_energy": -17.397, "layer_distance": 2.379, "delta_charge_bader": 0.736, "dipole_bader": 8.409, "delta_charge_hirf": 0.729, "dipole_hirf": 8.329, "index": "(110)", "absorped_atom": "F", "absorped_pos": "f"}{}1?pE?`@@i #M 75065ae98986e896473dfa102f2478f0   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_posf' absorped_atomF index(110) jN. # dipole_hirf@ r Ĝ/ delta_charge_hirf?S% dipole_bader@ hr 1 delta_charge_bader?O;dZ) layer_distance@1&x/ absorption_energy1e(E absorption_structural_energyf-$= adsorption_atomic_energy"`A%? adsorption_surface_energydl  version9 #M 75065ae98986e896473dfa102f2478f0   @5 *:?  hecc  vasp    e>T.$|%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