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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems n(MD\{\lg 35168833088d98292b068a3b9cd483af@7~l@8|theccZB>Y@ۊed@"'@<,@7@=U'@OIҵ@4ؙ@<)t'@Ե@@)W'@s߉Y!@ۊed@"'@v$@x $(~ @}"'@J '@>@)W'@6 r@S㥛?:f#@镲@~ @W}#@Lۿ@uYLl>@P#@W>@_YiR?R#@Ե@Δ @pΈ#@@uYLl>@P#@"*@_YiR?R#@QC"@~ @W}#@v$@:}k@Eɰ#@Y?&@?@6 r@:@rPL@x]@@n4@9̗@&@?@"@Жs)@l`q8@OIҵ@됛@Lۿ@Ե@ek?++MJ@Gr@Жs)@l`q8@£!@@n4@,@̯@&†@䃞ͪ@EV@e @OIҵ@ @$]3@Ե@X4@lޥ@}W@EV@e @ ^/!@pe1@Z_$@ӂ}?̯@&†@oG8-x@z1@L@r@pe1@Z_$@6 r@9b->?镲 @ 1@ @镲 @S!u@UD@镲 @oG8-x@9b->?镲 @Ե@ @镲 @ 1@UD@镲 @ 1@9b->?镲 @:H!@ @镲 @v$@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@{,}?oG8-x@!Y@ Ac+@1@ 1@9y @ ;@@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}hҩ'huEs eo +e?9\C8 A?E|'fH?c#7?}E?vꭁb?_>Y1\ݾ{ qY?C8 AE|'fH?c#7?Xo j?[a/]-C6:? e?o +e?9\y7DO=r?Xo j[a/]-C6:?+d?: vqd?HR?D?{k?BK8VunڌP?[#qpx?k*.>?pT?{&:pzgy&1\?}6unڌP[#qpx?k*.>?pT??{&:pzgd?HRD?{k?BK8VPSMۿҤT?iLm?3&c`]1е/g?+ak$ U?(xߢc?mrc?i?Lm?3&c`] |(b?MjhA?n/V?3/@?>6i?5&q4GV~i? |(bMjhA?n/V?k$ U(xߢc?mrc?_% DȗPQ?{GXj@?Ly HS˻`?/"UosG?Xj@?$xC5?MfE| Vl_% D?ȗPQ?{~_?Q,R?$xC5MfE| VlaE| vaSQ @]?>Vfe?;pGRK8L?xwd6dui?Btr1qzюJ`;pGR?K8L?xwd6duiBtr1q @]>Vfe?_% Tl# zR&5x3ۃpIJzZ?G??̔2?Ljh?rN}?zR&5x?3ۃpIJzZ?ZI+y?V&5mٮ˴?cD(bQ? o}U?a2U0*?l_@/ܹ?ZI+yV&5mٮ˴??̔2Ljh?rN}?ۅ:t(/b!_x?I dzx?=O11ȡU?.…! v{"str_E": -198.58822, "slab_E": -192.84492, "atom_E": -1.89, "ads_E": -3.8533000000000053, "distance": 1.58537, "Dipole_val": 0.602103, "plane_index": 111, "ads_site": "1b"}{}7?yV'8:?xzd I@ #@ _Մ #M 35168833088d98292b068a3b9cd483af   systems   6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site1b rr# plane_indexo! Dipole_val?DmZ distance?] ads_EӎMj" atom_E=p = slab_Eh  str_EhҲM  version9 #M 35168833088d98292b068a3b9cd483af   @7~l  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