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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems u(MD\{\lu 4475bf5671090d635a4af70466cd4922@7~$@9&<_hecc @u7@8m'@S!u@p@8m'@pn@a2U0*#?6qr'@-[닄@u7@8m'@_Q@W@g'@:H!@+p@g'@6 r?Pf@6qr'@ rh$@W@g'@+ٱ1?a2U0*#?6qr'@oG8-x@&? #@^c@҇. @гY#@S!u@UD@ #@oG8-x@O0?гY#@,g~@҇. @гY#@X@r@ 3#@/@&? #@:H!@Ƣd @ 3#@4c$@r@ 3#@6 r?9b->?~j@ek}@9m4@)@l/@ @)@([@ Tƿ?)@S!u@9b->@2Y@g'@ @)@wE@ Tƿ?)@/@9m4@)@:H!@g~5@=~o@l/@4@ v@S!u@W@ v@q@H@sƷ@{@g'@4@ v@o_@V@.ͧ@oG8-x@H}=?.ͧ@9@0G!@Q@{@g?@V@.ͧ@k#'@sƷ@{@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$@UD@镲 @6 r?9b->?{,}?6 r@9b->@{,}? 1@g~5@{,}? 1@9b->?{,}?S!u@9b->@{,}?OIҵ@g~5@{,}?Ե@9b->?{,}? 1@9b->@{,}?:H!@g~5@{,}?6 r?9b->?!'>-/@1@ 1@9y @ ;@@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}hAk[h#i1xu?a+ei?uOuUIddyuOubc^Gl? ES`*ø[1xua+ei?uOu\bWh9CmKK8?S!uq[?K8? ESp?*ø[\bW?h9CmKK8?bc^Gl ES`*ø[{GzD?17?+y?64De~QBX?J]2A?1е/G+y?~QBhJ]2A?64De?~QBX?J]2A?3.@0?ODo{GzD17?+y?_#I@ODo3.@0?ODoX zR&5~S?N ^U<~KaQ\?ꫫ8<~Ka8B 9!\?<~KajjpQ\ꫫ8<~Ka8B? 9!\?<~Ka~SN ^U<~Ka`?=S?GF?Hh˹t?GVHh˹t?=\r)mb`?辜ٮp=SGF?Hh˹t?l# h?ltOq\?$W@nU6ol$W@n(p辜ٮpl# hltOq\?$W@n=\r)m?b`?辜ٮp6Y]268Q Į8FGYm77MM?`.268a? Įm77M]`.8FGY?m77MM?`.*3A?=Զa4OrMd6Y]?268Q ĮlXSYD?OrMd*3A=Զa4OrMd6!1脰?&z,?TsPE9"ߥ?q@HF?A !?9"ߥ?0&>C8 A?9"ߥ?# ?q@HFA !?9"ߥ?0&>?C8 A?9"ߥ?&z,TsPE9"ߥ?3ް??&UÒ~?&UÒ~?MX?uNk{"str_E": -192.86575, "slab_E": -192.84492, "atom_E": -0.0126, "ads_E": -0.008229999999989468, "distance": 3.64222, "Dipole_val": -0.00816299, "plane_index": 111, "ads_site": "2h"}{}7?5&Rz X?~U&@ #@S| #M 4475bf5671090d635a4af70466cd4922   systems   6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site2h rr# plane_indexo! Dipole_valZ distance@ #D=Fl ads_Eĭ atom_E_o  slab_Eh  str_Eh9Xb  version9 #M 4475bf5671090d635a4af70466cd4922   @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