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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems b'M<?@S@_@o_?yS@_@Nz1@_@*p?M(@_@@ @^) @!vy@([Z?Gɫs  @Tƿϸ@Ϡ @Cf@J{/Lf@ŏ1w@([Z?W@_vO@ 0@HQ,?ŏ1w@N@^)?bհ@^)?Y9!@M@^)?`ü@eS.@^)?@z!@^)?%@ v@^)?h㈵!@=@4@([Z?y&1|?ŏ1w@e@{|?Y@J{/Lf@^) @ŏ1w@([Z?5l/ @_vO@ 0@֋h @ŏ1w@N@_@bհ@_@jjZ!@M(@_@2d@ @_@@z!@_@δ@S@_@K7"@yS@^) @4@([Z? F%u @ŏ1w@e@Ϡ @Y@J{/Lf@_@ŏ1w@ʾ+@o@q?w$@,. 6l5@vasp{}g ={Ig ={I_=~?Cb̿W:%?Y.}?f?Y.?M֨ht-v?qo~?[&|t?mYg|_?B]©?Ҫt&|ԋYh9?b('zdVp;XoC?:ūV_d?ip[[Կx?N??@?9)9'_=~Cb̿W:%Y.}?f?Y.M֨htaN&?#?kqܴ!S?m?3b^'Qf?]a^NF"4럿I.!V_?d?ip[[ԿxN?@?9)9'UǵbۿW:%?Y.}f?$[]N ?ݰmQf?&|ԋ?Yh9?b('z?dVp;XoC:ū-vqo~?[&|tmYg|_?B]©ҪtV_dip[[ԿYj0 ??@薿9)9'U?ǵbۿW:%Y.}f?$[]N ݰmQf?b^'?Qf?]a?^NF"4?I.!aN&#?kq?ܴ!Sm?3V_?dip[[ԿY?j0 ?@薿9)9')s TY? !ְɍ?xCQ{?2Wk J{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -184.351, "absorption_energy": -19.774, "layer_distance": 1.551, "delta_charge_bader": 0.147, "dipole_bader": 1.097, "delta_charge_hirf": 2.632, "dipole_hirf": 19.605, "index": "(110)", "absorped_atom": "B", "absorped_pos": "b1"}{}1?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