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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems a'M<@Zd@Gɫs @Ԃ}@3.@y]@.o@L?Q#@s@yu٫@ё\C @@zFw?it3%@Eby@1%@a4&@q?w$@Y jƄ@V|9@vasp{}hyᤕvhyᤕv+B^ qS?y?=B͐*? O?}Az|kzp~k'JB?E>a? FS?vꭁbFҁ?0*t?S;Ԗ <?PR)?Ke%@,vq -)q?lZ)rFQ趿mr[*MFeמYB9^I?xgw?jHPs_羿`?Nz1S? 毐2ʿܼqR?fb?ի?&75??Ig e^SH~?26t?p ({ԟ&KZ?R,?m}̧5?L*?FR);.?U 7೿|⋮?ihs۔ի?̖p?P6 r?g e1{v1?}<ݭ,? ({ԟԛQU|??Q =NL*?`\:挿E жU 7೿ ]@ SK ?_@/ܹ0óuٕ46TN{Jq@H?AfjGq:?t$~9̗g?l?= NPg,{B?3c?:b5nRX;KW?(%ў? Ԃ?%B?h=(:"P?ܬ"D??^[{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -195.809, "absorption_energy": -21.169, "layer_distance": 0.957, "delta_charge_bader": 0.894, "dipole_bader": 4.108, "delta_charge_hirf": 1.306, "dipole_hirf": 6.003, "index": "(111)", "absorped_atom": "N", "absorped_pos": "h2"}{}1?ә9L??WK@5b#@nzH #M 6a0fbf3dc366a53c5db1c81b48d97541   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posh2' absorped_atomN index(111) jN. # dipole_hirf@nP/ delta_charge_hirf?`A7L% dipole_bader@nO;1 delta_charge_bader?웥S) layer_distance?vȴ9/ absorption_energy5+C%(E absorption_structural_energyhyS$= adsorption_atomic_energyE%? adsorption_surface_energyepn  version9 #M 6a0fbf3dc366a53c5db1c81b48d97541   @5 *o  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