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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems p(MD\{\lk d3814bba59af3509b135c307291c4c6d@7~O@8q/heccoG8-x@Nz@ǵb*@2U0*@j@#'@:@0G@yt@sF'@6 r@D$?.(@Ե@W 3@(a_'@#@yt@sF'@,+MJA"@?镲 @ 1@ @镲 @S!u@UD@镲 @oG8-x@9b->?镲 @Ե@ @镲 @ 1@UD@镲 @ 1@9b->?镲 @:H!@ @镲 @v$@UD@镲 @6 r?9b->?{,}?6 r@9b->@{,}? 1@g~5@{,}? 1@9b->?{,}?S!u@9b->@{,}?OIҵ@g~5@{,}?Ե@9b->?{,}? 1@9b->@{,}?:H!@g~5@{,}?1@ 1@9y @ ;@@[{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}]vasp{}ho'B`hu fHu?mCR %s?H5x_ u2g@YF%uklp`o6pt <^/r]t2g@Y?F%uklpt[ I'R?Q0c 8{CR %sH5x_ uzюK?ԁV_}t[? I'R?Q0c 8{Vc#P#{vꭁB}rL5r64DE ‡RnWuv]pX:a?d!:Z"[ARy"ps64DE? ‡RnWuv]pX:?a?d!:ZvꭁB?}rL5r>a? zcbqmhGJ?8*5{U fh<1?7ݲCf@j';TK8 pcbqmh?GJ?8*5{Uc#W?]E~?gX|[TG|rlpas?,?2M?c#W]E~?g@j';T?K8 p+4ZQfcD(baDӶ){"str_E": -195.47362, "slab_E": -192.84492, "atom_E": -0.0394, "ads_E": -2.589300000000009, "distance": 1.30776, "Dipole_val": -0.735948, "plane_index": 111, "ads_site": "1b"}{}7?iWE?Li@ #@  #M d3814bba59af3509b135c307291c4c6d   systems  6    ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site1b rr# plane_indexo! Dipole_valϼ distance?앿Ex ads_ECA atom_E,<쿱 slab_Eh  str_Eho'!Wi  version9 #M d3814bba59af3509b135c307291c4c6d   @7~O  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