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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems `'M<yX5@^)?!vy?Bi@^)?Nz1@^)?!vy?80@^)?Tt<@1*$@!vy@([Z??ܵ?"\?Zd@S c @ @SW@^) @([Z? @}͍@Zd@J0 @ͪՆ$@SW@_@!vy?_@h@Zd;O@_@!vy? @_@Nz1@_@!vy?@_@hu@˜.m@^) @!vy@([Z? @"\?Zd@J0 @ @SW@ŏ1w@([Z?= Y?̯@YLl>@g?@6q@eN@^)?bհ@^)?Vn!@>yX5@^)?bհ@{Nz:@^)?@z!@^)?bհ@&1@^)?X!@1*$@4@([Z?= Y?T㥛Ā@YLl>@g?@u7@eN@^) @ŏ1w@([Z?%]3f @̯@YLl>@3d@6q@eN@_@bհ@_@Ӥt{!@Zd;O@_@bհ@S㥛@_@@z!@_@bհ@pΈ@_@l&ls"@˜.m@^) @4@([Z?%]3f @T㥛Ā@YLl>@3d@u7@eN@_@bհ@hb@o@q?w$@,. 6l5@vasp{}f?#[f?#[I?9vz?aMeQٿԜz?CVzNzۤw*1 ?o?dvSI+?Tti{nʵEn1o|\?S?j@+0d?߾I?9vzaMeQٿԜz?CVzNz?ۤw*1 ?o엿dvSI??9vz?aMeQٿԜzCVzNzۤw*1 o?dvS*D?Oތ?= !?6 \?UnHJz?f?6T7q„I??9vzaMeQٿԜzCVzNz?ۤw*1 o엿dvS׼Z?&"oEENܿ)=Ke?9}?wihsۤG仔d"?gb?Tt?i{P<En1o?|\?Ral!A?j@+0d??߾׼Z?&"?oEENܿ)=Ke?9}㛿wihsۤG仔d?"?׼Z&"oEENܿ)=Ke9}?wihsۤ?G仔d"? '8?Oތ= !?fOsU?nHJz?^/ ۖ?6T7?q„׼Z&"?oEENܿ)=Ke9}㛿wihsۤ?G仔d?"?:ZՒr!Ow?r"?K]w?p&{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -183.727, "absorption_energy": -19.149, "layer_distance": 2.001, "delta_charge_bader": 0.309, "dipole_bader": 2.973, "delta_charge_hirf": 2.57, "dipole_hirf": 24.695, "index": "(110)", "absorped_atom": "B", "absorped_pos": "f"}{}1?}M ?wO!@@ 7Kƨ #M bfe8b97199b2f0e0dde9d021564bd2fc   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_atomB index(110) jN. # dipole_hirf@8R/ delta_charge_hirf@\(% dipole_bader@ȴ9Xb1 delta_charge_bader?Ƨ-) layer_distance@ I^5/ absorption_energy3&$/(E absorption_structural_energyfC%$= adsorption_atomic_energyѩlD%? adsorption_surface_energydl  version9 #M bfe8b97199b2f0e0dde9d021564bd2fc   @5 *Wi  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