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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems v(MD\{\lw 92057423ecacc7b0d2daada02a505f87@7~O@9&AaKhecc ek}?ek}?&$@ek}?%jj@%ǝұ$@ek}?JY8@%ǝұ$@%jj@ek}?%ǝұ$@Cf@Cf@6[$@Cf@@6[$@JY8@ek}?%ǝұ$@@Cf@6[$@@@6[$@Q@ W(?G8-x'!@Q@Q@G8-x'!@@oG8-x@+'!@oG8-x@~jtH?+'!@oG8-x@@+'!@oG8-x@oG8-x@If&!@ W(? W(?G8-x'!@ W(?Q@G8-x'!@~jtH?oG8-x@+'!@ek}?ek}? ܺ@ek}?@J8@ek}?K8@J8@@ek}?J8@+@+@ԕ@+@JiW@ԕ@K8@ek}?J8@JiW@+@ԕ@JiW@JiW@ԕ@ĔH@CK@X4@ĔH@ĔH@X4@5)^@oG8-x@\Z {@oG8-x@(IL@\Z {@oG8-x@5)^@\Z {@oG8-x@oG8-x@Ynݭ@CK@CK@X4@CK@ĔH@X4@(IL@oG8-x@\Z {@ek}?ek}?_@ek}? 1@_@ek}?OIҵ@_@ 1@ek}?_@ 1@ 1@_@ 1@OIҵ@_@OIҵ@ek}?_@OIҵ@ 1@_@OIҵ@OIҵ@_@6 r@\wT\?6 r@6 r@\wT\?6 r@oG8-x@\wT\?oG8-x@\wT\?oG8-x@6 r@\wT\?oG8-x@oG8-x@\wT\?\wT\?6 r@\wT\?oG8-x@\wT\?ek}?ek}?J{/L+@1@1@4}=@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}gңF g \܂Y?duY?V6odduYV6odduY?V6odk$ %k$ %ŭw?k$ %k$ %?ŭw?duYV6odk$ %?k$ %ŭw?k$ %?k$ %?ŭw?ŸJ?ŸJx CŸJ?ŸJ?x Cx!^?Ibx!^Ibx!^?Ibʼnvt?ŸJŸJx CŸJŸJ?x Cx!^Ibqe?t ;G?Z H?t ;GZ H?t ;G?Z H?-YU?-YU?qimZ-YU?-YUqimZt ;GZ H?-YU-YU?qimZ-YU-YUqimZMb@?Mb@&|>]0ƿ&|>&|]0ƿ׆q&D?u]ƿ&|&|>]0ƿ&|&|]0ƿt ;G?t ;GM»\?t ;G?t ;G?M»\?W\I?uR_?W\IuR_?W\I?uR_?Mb?t ;Gt ;GM»\?t ;Gt ;G?M»\?W\IuR_??̔߂???U CGb?? kQ {"str_E": -190.5825, "slab_E": -190.59214, "atom_E": -0.0125517, "ads_E": 0.022191699999990322, "distance": -3.50874, "Dipole_val": -0.0216472, "plane_index": 100, "ads_site": "0t"}{}7?̫֔??@ ^@S| #M 92057423ecacc7b0d2daada02a505f87   systems   6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site0t rr# plane_indexd! Dipole_val*3+ distance FV ads_E?kl atom_E! slab_Egϕ str_Egң =q  version9 #M 92057423ecacc7b0d2daada02a505f87   @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