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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems a'M<?F|'f@*@!vy@([Z?=U$@ ui@~jt@"-R@^) @([Z?^) @ v@^.;1@^) @=\r)?{L@_@!vy?fffff@Vy@N@ؙB@!vy?ǘ@_@Nz1@Zd;@!vy?|@7[ @F|'f@*@^) @!vy@([Z?^) @x s?^.;1@^) @4Op@{L@ŏ1w@([Z? F%u@h˹W@U@x( <@^)?bհ@ )?7!@N@3?bհ@-`@^)?@z!@ Y9?bհ@M(D@z6>?*!@*@4@([Z?M֨@h˹W@M@x( <@^) @ŏ1w@([Z?^) @@s)*@^) @I&f@XQi@_@bհ@fffff@7!@N@Vy@bհ@-`@_@@z!@[rP@bհ@M(D@7[ @*!@*@^) @4@([Z?^) @F_A@s)*@^) @'$@XQi@^) @bհ@_L@o@q?w$@,. 6l5@vasp{}f!f!HIOǫ?c@zٿW?Y|^t?B=_=[ ~b?]Ej5l/z?V?fI}y?d:tzލ?)'$z, &(D2?$H8t&} Xig uj?O崧䜼HIOǫc@zٿWY|^t?B=?J?HLP÷׿H'cN ^?VIddYN`_=[? ~b?]Ej?5l/z?V?fI}yd:tzލ?)'$z?, &(D2?$H8t?&} Xi?g uj?O崧䜼J񄿮HLP÷׿H'c?N ^?VIddY?N`l"3<6lgϿOo+K?=)[$,뇴(]w?V?]Ej5l/zV?/^|~)'$z, &(?D2?:`T?E2 Xig ujO崧䜼l"3Ʀ43{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -183.516, "absorption_energy": -18.791, "layer_distance": 1.457, "delta_charge_bader": 0.697, "dipole_bader": 4.877, "delta_charge_hirf": 0.651, "dipole_hirf": 4.555, "index": "(110)", "absorped_atom": "F", "absorped_pos": "b2"}{}1?{-?SYr@@i #M 2cdf2606c85d4e135e685b8fbd2e0838   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_posb2' absorped_atomF index(110) jN. # dipole_hirf@8Q/ delta_charge_hirf?E% dipole_bader@ I^51 delta_charge_bader?M) layer_distance?O;dZ/ absorption_energy2~"(E absorption_structural_energyfn$= adsorption_atomic_energy"`A%? adsorption_surface_energydl  version9 #M 2cdf2606c85d4e135e685b8fbd2e0838   @5 *=  hecc  vasp    e>T.$|%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