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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems _'M< @ @t^@^)?^)?^)?_@_@^)?_@_@bqm?bqm?-# @}"?"@^)??^)?^) @?_@?_@^) @?9d?$EdXy?b@kHcC?Z! @-l@b(@3@-l@Zd;O@(\ @0[w@M?i?|гY"@Mg'd?Q1߄B @s4"@,σ@k@s4"@If@` @XL>"@"~*@"~*@m#@o@o@ME8@vasp{}gg=bBW?=bBW?2zp?CQO䡿eI)쟧?eI)CQO䡿쟧?ฌ?ฌ?Cl?CX%CX%m2K?A^2+?.+=)s2+?A^.+=)sAvsAvsX?%"d%"dq89@lpdF ^8L㩿dF ^lp8L㩿^_>y^_>yh^`Vʿ=bBW=bBW2zp?CQO?eI)?쟧?eI)?CQO?쟧?ฌฌCl?CX%?CX%?m2K?A^?2+.+=)s2+A^?.+=)sAvs?Avs?X?%"d?%"d?q89@lp?dF ^?8L㩿dF ^?lp?8L㩿^_>y?^_>y?h^`VʿGz?GzFxxҢ?N=jy!?m)Ŀy!N=j?m)ĿM΢wM΢w?G>x¿'ݖg'ݖg?jex¿'ݖg?'ݖgje! v{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -191.672, "absorption_energy": -22.182, "layer_distance": 0.835, "delta_charge_bader": 0.021, "dipole_bader": 0.084, "delta_charge_hirf": 1.15, "dipole_hirf": 4.611, "index": "(100)", "absorped_atom": "B", "absorped_pos": "b"}{}1?~F5s?ۢ@g"@ 7Kƨ #M 8e5e94d9d188a6247b0afd2fdb59819e   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_atomB index(100) jN. # dipole_hirf@ql/ delta_charge_hirf?ffffff% dipole_bader?$/1 delta_charge_bader?$/) layer_distance?Q/ absorption_energy6.O;(E absorption_structural_energyg$/$= adsorption_atomic_energyѩlD%? adsorption_surface_energye&+  version9 #M 8e5e94d9d188a6247b0afd2fdb59819e   @5 * bE  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