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< @ZB> @&Nw( @?m@?m@9v@"?&lsc @Fx $@&lsc @"?Fx $@J5o6 @J5o6 @KE@^)?^)?^)?_@_@^)?_@_@eS.?eS.?'1 @Ciq ?Yn@ƿϸp @Yn@Ciq ?ƿϸp @+ @+ @&Nw( @VCb?VCb?9v@%ǝ?9@Fx $@9@%ǝ?Fx $@}\*ƹ@}\*ƹ@KE@^)??_@?^) @^)??^) @_@?r_s?ek?@ vö@g~5@/@u @=?/@T[ @Tg@/@?=$@?D"@^hH @ؙB@j+'"@σv @u&?j+'"@bod @~nx@FžvH"@^)??^)?^) @?_@?_@^) @?ek?r_s?@=?u @/@g~5@ vö@/@Tg@T[ @/@=$@??D"@u&?σv @j+'"@ؙB@^hH @j+'"@~nx@bod @FžvH"@"~*@"~*@}k,$@o@o@ME8@vasp{}h Z Nh Z Nh?RDU?h?RDU?ң?DkE㜿|Bvfyt?|BvfDkE㜿yt?ᱟ?ᱟ?V?EE÷n;ӽNҮRFf/NRFӽNҮf/N LnX? LnX?F!ɬ? % %{&3ޮg'ՉJ`s JPBJ`s g'ՉJPB$`SQ$`SQp0̿h?RDUh?RDUң?DkE?|Bvf?yt?|Bvf?DkE?yt?ᱟᱟV?E?E?÷n;ӽNҮ?RF?f/NRF?ӽNҮ?f/N LnX LnXF!ɬ? %? %?{&3ޮg'Չ?J`s ?JPBJ`s ?g'Չ?JPB$`SQ?$`SQ?p0̿Hu?HuձJ^?vkFY.?]ſY.󓿟vkF?]ſ|?q|?q?#SRR?>DfVDׅ_ \?@d&ޑ? \VDׅ_?@d&ޑ?CgǜCgǜ?U2Tqf?S[?S[/h¿pzl;m?P,cyl;mpz?P,cy7ܘ?7ܘzHuHu?ձJ^?vkF?Y.]ſY.?vkF]ſ|?q?|?q#SR?R>DfVDׅ_? \@d&ޑ? \?VDׅ_@d&ޑ?Cgǜ?CgǜU2Tqf?S[S[?/h¿pz?l;mP,cyl;m?pzP,cy7ܘ7ܘ?zggsZ?gsZ?hr$? 4/b?>hPVY{"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -193.011, "absorption_energy": -22.55, "layer_distance": 0.946, "delta_charge_bader": 0.508, "dipole_bader": 2.308, "delta_charge_hirf": 1.159, "dipole_hirf": 5.266, "index": "(100)", "absorped_atom": "C", "absorped_pos": "b"}{}1?y"3d?Zsg@g"@p ě #M e6b6f886563786c196c164d403e92071   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posb' absorped_atomC index(100) jN. # dipole_hirf@bM/ delta_charge_hirf?C%% dipole_bader@vȴ9X1 delta_charge_bader?A7Kƨ) layer_distance?E/ absorption_energy6(E absorption_structural_energyh Z1$= adsorption_atomic_energyE%? adsorption_surface_energye&+  version9 #M e6b6f886563786c196c164d403e92071   @5 *(à  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