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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems a'M<?m?߄B@E|'@Ϡe?9̗W@^)?!vy?^)?1@BL@^)?wb֋?+e@^)?Nz1@^)?(yu?=a@^)? /@7@!vy@([Z?n\?v@CQO@u^@N@aC@^) @([Z?= @߄B@E|'@Hh @9̗W@_@!vy?_@ <@;5Y^@_@KY8E?To l@_@Nz1@_@_vO?jt@_@67'l@\='o<@^) @!vy@([Z?# @v@Ry;) @u^@N@aC@ŏ1w@([Z?>?m?"A@E|'@ K̔Y8j?^)ʥտ|FH"i7@jw?r&"p?yߢR҇?o4(?i?xy:?^;r6, Jʽ?>s(?dҍbc^*ѫ?h8eC‡{\&pn׿?w~~uf81$'>̔( ̔( s(?dҍ?bc^*ѫh8eR҇o4(?ixy:?^;?r6,C‡{\&?pn׿z):ˏ]?uf81$'?>̔:vP눿'z)?Vf'Qj?a}H{??; 4{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -183.493, "absorption_energy": -18.767, "layer_distance": 1.193, "delta_charge_bader": 0.695, "dipole_bader": 3.985, "delta_charge_hirf": 0.578, "dipole_hirf": 3.313, "index": "(110)", "absorped_atom": "F", "absorped_pos": "b1"}{}1?)MBE?)z'@@i #M 76030edc9576046407e00bbc92e1fa60   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_posb1' absorped_atomF index(110) jN. # dipole_hirf@ $// delta_charge_hirf?~"% dipole_bader@Gz1 delta_charge_bader?=p =) layer_distance?+ J/ absorption_energy2Z1(E absorption_structural_energyfƧ$= adsorption_atomic_energy"`A%? adsorption_surface_energydl  version9 #M 76030edc9576046407e00bbc92e1fa60   @5 *@2  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