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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems q(MD\{\lm f4313c01d93200460b8f612b3c1e3381@7~w@8p]hecc oG8-x@ۧ1@3f,@Ve?@KTo@'@2U0*@zNz@ŬC9'@6 r@㥛 ?du(@Ե@x&1@'@Gŧ@zNz@ŬC9'@i"@ĔH@v'@S!@KTo@'@oG8-x@#b@(@Ps@ĔH@v'@6 r@?Y#@M~@= ףp @I +#@c=y@ 0@`#@0*@W?x&#@Ե@w-! @Է#@-@ 0@`#@lC8@W?x&#@*"@= ףp @I +#@v$@.o@}гY#@Ϡ?Mg'?̯@6 r@'†W@ @z(@$@H @D$@Mg'?̯@g\8@6qr@^F@OIҵ@b@%&@Ե@ ?m@}@6qr@^F@P6 !@$@H @rPL@Mb@7@R,@@!Y@OIҵ@@+0d@%P6@Ե@u7@)3@ $(~@@!Y@U0*"@OIҵ@r.U@3P!@Mb@7@v$@f@}i@T"'@OIҵ@r.U@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$@UD@镲 @6 r?9b->?{,}?6 r@9b->@{,}? 1@g~5@{,}? 1@9b->?{,}?S!u@9b->@{,}?OIҵ@g~5@{,}?Ե@9b->?{,}? 1@9b->@{,}?:H!@g~5@{,}?1@ 1@9y @ ;@@[{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}]vasp{}hQE."R:hWf^E'K[?T#siUMu E(#.ǜgK6>8*5{eӹd?9]c̖p1ZGU3FSweG?ǜgK6>?8*5{eӹd?@jW_L5hxt?iUMu? E(#.uA3K@jW?_L5hxt?&|k#*T7W?fLgADl?vӂg6Ko.JoӟHY[?ܠ[;Qb?TsPU&q+a?3jJ>v'?6Ko.J?oӟHY[?ܠ[;QbTsPU&qfLgA?Dl?vӂglxz,Cl?y'Lh?wH1@ d??̔?ۂg? FC?Ց#}?Tqs*Y?Z(Y?_>Y1\ݾwH1@ d?̔?ۂg?fLgA1?74e??268Q?pzW?T:Wpaci{tfLgA?1?74e??268Q?Tqs*YZ(Y?_>Y1\ݾeQE_vꭁB?hUM`?pDk,o'Q2T?&|W?$PU'eRC?pDk,?o'Q2Q,R?gejB?lXSYt?eQE_?vꭁB?hUM`?}E?Oʤ6[?Q,RgejB?lXSYt?W:OLq0 l?TpxADjz?*s螭fLg1?#02,%˱b{y? # f膦􃲿uBYz?c[fLg1#02,%˱b{y # f膦􃲿q0 lTpxADjz?*s螭Bd?EaEx軋?g$B#؈?k?'pٵݒ? FcE&w]~p>?x軋g$B#؈?k?! L Xiu?cϞt?M'?IZW?ݑ?! L? Xiu? Fc?E&w]~p>?mi|? m0?,4U?Fk]>>! v{"str_E": -194.53969, "slab_E": -192.84492, "atom_E": -0.00394, "ads_E": -1.6908300000000054, "distance": 1.99114, "Dipole_val": -2.57655, "plane_index": 111, "ads_site": "1b"}{}7? <1?0ɸm @ #@ #M f4313c01d93200460b8f612b3c1e3381   systems  6   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site1b rr# plane_indexo! Dipole_val? distance?۵y ads_E  atom_Ep#cV slab_Eh  str_EhQE#N  version9 #M f4313c01d93200460b8f612b3c1e3381   @7~w  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