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 r(MD\{\lo c6e088b54cfc952b6ed13f94a4186967@7~ '@97Hx:hecc//////////////////////////////////////////////////////w?h?ytͤ'@w?D!T@6T'@w?du礷@ytͤ'@A}˜.@Mg'd?w/'@-@D!T@4@'@A}˜.@b('Z@w/'@Nc@Mg'd?w/'@Cl[@D!T@4@'@Nc@b('Z@w/'@ڊ!@je/u@y)z#@ڊ!@ 'x@y)z#@{Fw;?g~5#@JA4@je/u@y)z#@JA4@ 'x@y)z#@#bJd@g~5#@HȰw@XE@\ Ac#@HȰw@Sg@\ Ac#@HȰw@fNĦ#@w?c*_?3V@w?D!T@CVzN@w?z6>W[@3V@W 3@N(D!T?R @zrK@D!T@J_{@W 3@XG^@R @9 {O@N(D!T?R @IOC@D!T@J_{@9 {O@XG^@R @L!@ p@!Yn@L!@9#J{@!Yn@(XQiX?!rhm@ @ p@!Yn@ @9#J{@!Yn@1_^}t@!rhm@HȰw@Fx d@ŬC9q@HȰw@++MJ@ŬC9q@HȰw@:#J{o@w?w?R!5 @w?D!T@R!5 @w?LTo lU@R!5 @D!T@w?R!5 @D!T@D!T@R!5 @D!T@LTo lU@R!5 @LTo lU@w?R!5 @LTo lU@D!T@R!5 @LTo lU@LTo lU@R!5 @HȰw@^o%;?HȰw@^o%;?^o%;?HȰw@HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@HȰw@^o%;?HȰw@^o%;?w?s+@g!@g!@7@@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}a$˟aŸJ^b,/Qx 3ŸJ?^b,/QTO}cGW:k`?BK8V?^Ip?TO}cGW:k?`?TO}c?GW:k`?BK8V^Ip?TO}c?GW:k?`?X|[TW1]aYLl> e?X|[TW1]a?YLl> e?O'S?7wX|[TW?1]aYLl> e?X|[TW?1]a?YLl> e?O'S7w4 ;H]Mn?4 ;H?]Mn?D c?ꫫh?uRzh;/K;5g?ꫫhuRzh( 0i?+ٱ1 uLy HS2tR( 0i?+ٱ1? u( 0i+ٱ1 uLy HS?2tR( 0i+ٱ1? uZa/$?2K?Ln!Za/$?2KLn!8Jw`({t?Za/$2K?Ln!Za/$2KLn!8Jw`?({t?c}Ev?&|Gc}Ev&|G3ۃP?]gA(?[;Qi]gA([;Q g?zVҊo(5#E pA,?)1  g?zVҊo(?5#E gꃿzVҊo(5#E pA,)1  gꃿzVҊo(?5#E7T7? .Vt?q::F?7T7? .Vtq::F?B_zs`?w׹i?7T7 .Vt?q::F?7T7 .Vtq::F?B_zs`w׹i?ͮ{+CTpxADj?ͮ{+C?TpxADj?[7qû?HSȕzF?_""y?y|r?_q }VK?>!{"str_E": -143.24513, "slab_E": -138.95552, "atom_E": -1.8878972, "ads_E": -2.4017127999999817, "distance": 1.63455, "Dipole_val": 1.38195, "plane_index": 100, "ads_site": "1b"}{}7?o?y""ٍ_@-+Jl@Gg #M c6e088b54cfc952b6ed13f94a4186967   systems   /6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site1b rr# plane_indexd! Dipole_val?wkP distance?', ads_E63Sz atom_E4ӱ\  slab_Ea^Ց str_Eaި  version9 #M c6e088b54cfc952b6ed13f94a4186967   @7~ '  hecc  vasp  /  ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E   ads_site #plane_index!Dipole_val distance ads_E atom_E slab_E str_E