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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems a'M<W@v?.!@2%~?`ü@.4 @Á,`?&Kz?zG$@KTo?C+ @vöE?],σ?Gɫs @a_Y!@9@bg ׸@@"2?6>W[ @.!@ѩ+?wR~R?.4 @@He@zG$@!vyC+ @uT5A@],σ?Gɫs @F?B 3m@ h"l@jMK @: @[[@,C?x&1 @x&1?g~5@vy$@h㈵%#gaO?[Ɏ@Zd@Gɫs @,@-C6*?@|y@OGɫ @ZӼC@|~?&p %@pӰ@C+ @uݰ@],σ?Gɫs @L<@\@y @)Wx@VI @&S@8@.V`?OGɫ @m@8̒@@&p %@Nz1@C+ @!@],σ?Gɫs @yZ@-&6@@DL$z@Z*oG8 @^2@PC!@<,Ԛ?Z @g?@"@->x$@bbq@%#gaO?=>@Zd@Gɫs @,E|@)[Z @H0[@k, @++MJ?^.;1+@}"O@(@9 {ڱ @ڧ1#@=Ifͦ?6;N%@p= @33333 @ T&@q?w$@Y jƄ@V|9@vasp{}h|Csh|CsNZ7??/fK?`?VΆ?,p71$'Sg?@IZ(iD-ͭv{G ? `5! <}b٥?ڊeAǘX#ؙB5?E^Ӄr?/fK?6ڋh;?!u|, O?}ƅ!y@IJCBy}r{G ?&+_ Pjb}b٥?HK`s Mr?X#1]a¼Ǚ& ?y?^?Pl?ڦx\vӂw13?FSwe?l[{?|` mPm(֩=#aq #070ʼnvt~ NanrD2zk?k?D6.6?5_% rhΧuzU?%n? rha?@he@;i Z+?&[X7~?x&4I,)˿$@?ԅ?!J?'?Su8Jk¿O@?'3ތf(ϼUG|?j+??Qٰd?"l%䃞ͪ"jGOV?Q,?mWel?!J?fh<?V&5?k¿J>\;Bu?3ތwM"4j+?H}MZm"l"ߢCp\M OV?Y"{Lq?^f(?AG{?| Vj-Քd}@puʣaQa?e?lɪ7Y?q74eԥ14p>uRzn.'?ds {"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -195.876, "absorption_energy": -21.236, "layer_distance": 0.965, "delta_charge_bader": 0.887, "dipole_bader": 4.109, "delta_charge_hirf": 1.411, "dipole_hirf": 6.538, "index": "(111)", "absorped_atom": "N", "absorped_pos": "h1"}{}1?Ծf.#?P=@5b#@nzH #M 789cd2bb07134854b05e51cb80c4ae6d   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posh1' absorped_atomN index(111) jN. # dipole_hirf@&x/ delta_charge_hirf?tj~% dipole_bader@o-V1 delta_charge_bader?bM) layer_distance?Gz/ absorption_energy5T.$|%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