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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems b'M<'@^)?Nz1@^)?UMu?.lI@^)?=yX@ e@!vy@([Z?j0 Gt?n)@OI5?BR@ǵb\@^) @([Z?4 @UMu@Fx @} @Nz1T@_@!vy?_@E a@H@_@sR?!A 3@_@Nz1@_@(r?%e@_@V/g@p:@^) @!vy@([Z?}i @n)@ 7 @BR@ǵb\@ŏ1w@([Z?t^c:?^c@Fx @2YӮ?ŏ1w@m@^)?bհ@^)?ZBs!@.lI@^)?I&¦@ e@^)?@z!@^)?R~R@D@^)?^zk`!@E>'@4@([Z?E|'fh?ŏ1w@ @OI5?@ǵb\@^) @ŏ1w@([Z?4 @^c@Fx @z{ @ŏ1w@m@_@bհ@_@:;%!@%e@_@^)@p:@_@@z!@_@fL2r@H@_@nض("@!A 3@^) @4@([Z? ϛ @ŏ1w@ @ 7 @@ǵb\@_@ŏ1w@j';t@o@q?w$@,. 6l5@vasp{}g6+ug6+u }Vпl?d73р? i?*MF?ʲȑΠ? Lu?H?St$?W|Cu?w悔/LZ`?/r]tB?S[q„Ѹ?噳ft?¿3ԿJ4*p?Pi>?&Sunڌp?|a2U0* ?}Vпld73р? i?*MFʲZ8?l ]?!˛Å=)5z5@i?5($ջv4|HF?-c}&s,B:<,eXf?t?¿3ԿJ4*pPi>?&S?unڌp?|a2U0*[$F/Ie9ؿl?d73р i?75|α?(vL}?/L?Z`?/r]t?B?S[q„Ѹ噳ȑΠ Lu?HSt$?W|Cuw悔ft¿3Կ$5&\R?&Sunڌp|a2U0*[$F?/Ie9ؿld73р i?75|α(vL}?v4?|HF?-c}?&s,B:\Ԕ??̳A7{?}Gٳe{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -185.714, "absorption_energy": -20.166, "layer_distance": 1.444, "delta_charge_bader": 0.718, "dipole_bader": 4.979, "delta_charge_hirf": 2.534, "dipole_hirf": 17.578, "index": "(110)", "absorped_atom": "C", "absorped_pos": "b1"}{}1?ߍG]y?\>Զ@@p ě #M 8d2ddc42663b1990502f4f650f7936b2   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_posb1' absorped_atomC index(110) jN. # dipole_hirf@1/ delta_charge_hirf@E% dipole_bader@~"1 delta_charge_bader?"`) layer_distance?vȴ/ absorption_energy4*~"(E absorption_structural_energyg6+$= adsorption_atomic_energyE%? adsorption_surface_energydl  version9 #M 8d2ddc42663b1990502f4f650f7936b2   @5 *g^'  hecc  vasp   e>T.$|%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