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<\r) @l, P@#G@ @s~?h˹WU@_@!vy?<1P@\[%X@ڧ1@K;@!vy?0_^@_@Nz1@N],@!vy?|͍@oB!@LJ@ǵ@^) @!vy@([Z?>\r) @.n$@#G@ @*~@h˹WU@ŏ1w@([Z?Q@:ǀ@|~!<@Sg?E>')@o_@^)?bհ@Xj?|G!@1Bxq@AJi?bհ@z1@^)?@z!@J8?bհ@9m4@<.9?/"@5@4@([Z?Q@@ٔ+@|~!<@Sg?8@o_@^) @ŏ1w@([Z?t @;1@v@dp @UގpZp@;f_@_@bհ@<1P@(IL!@ڧ1@@߾@bհ@ vö@_@@z!@@bհ@g?@oB!@ض(A"@ǵ@^) @4@([Z?t @7A`@v@dp @P@;f_@cՐ@bհ@>yX5M@o@q?w$@,. 6l5@vasp{}g Ag Aq@HVI{j,aۿ3jJ>vW(~9 h?eS?Ҥt?M񸨺5>?3l?.)%*?$zr?{l˚dVA ?Sr/0+d??+d?Ů?\R? uѱJ\Ljq@HVI{?j,aۿ3jJ>vW(~?9 h?eS?ҤtM񸨺cz(kX˝`8w?cݿ3Vzm6v?W\i?8fٓ\?DkE|?C?{?*5{(@T.5B??bFx{p,+MJAwH5\? -|?4 ?h8enOʤ6uݑ1?a2U0*cVc kc?rMd?3p1Mccz(kX˝`8wcݿ3Vzm6v?W\i8fٓ\?DkE|?C?{*5{J[\3 |(?lY.ڿ;~V?7ӅX?tB蠿Ҩ6p?kIG9MQY?RH2wm?RcB%?.)%*$zr?PNR!udVA ?Sr/0+d?5A}R{Q?\R? u?ѱJ\LjJ[\3 |(lY.ڿ;~V?7ӅXtB蠿Ҩ6p?kIG9M?QY?! _B?/?) ?ڿg?I2f?W#2m5?xy:*V m2[0[ws?bFx{p,+MJAw?H5\?,NGh>h8enOʤ6?uݑ1?}͑e*%d?rMd?3p?1Mc! _B?/䉿) ?ڿg?I2fW#2m5?xy:?*V ۈ'?:␭!?T}$?H Pz?&Dr?:-{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -184.341, "absorption_energy": -18.507, "layer_distance": 1.82, "delta_charge_bader": 0.954, "dipole_bader": 8.337, "delta_charge_hirf": 1.099, "dipole_hirf": 9.605, "index": "(110)", "absorped_atom": "O", "absorped_pos": "h"}{}1?=?*K?!⅚@@il #M 409c6c2b44102985658a05115a81fff0   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_posh' absorped_atomO index(110) jN. # dipole_hirf@#5\(/ delta_charge_hirf?$/% dipole_bader@ C1 delta_charge_bader?+ I) layer_distance?Q/ absorption_energy2o(E absorption_structural_energyg x$= adsorption_atomic_energynP%? adsorption_surface_energydl  version9 #M 409c6c2b44102985658a05115a81fff0   @5 *Sџ  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