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 [["(M|,{,lw c1fed584b1d6ce681051bbe36bee9a4e@7~@9&=~]hecc /////////////////////////////////////////////HȰw@ W?)Ǻ(+@ @Jx@0[w&@';z@[ AQ@ .V'@LTo lU@tV@0[w&@hnU@#EdX@ .V'@ h"l!@[ AQ@ .V'@/rn@ڧ1u?;k]'@Gx $x$@Jx@0[w&@HȰw@҇.H@;k]'@m4?ڧ1u?;k]'@,g~5?^I +?_*"@HȰw@6 @_*"@J^c@@»\ķ@E_A:"@@^I +?_*"@ v@eS. @='o|-"@LTo lU@vӂ@='o|-"@hnU@8EGr?E_A:"@Cf!@eS. @='o|-"@++M$@»\ķ@E_A:"@HȰw@ W??ܵ@`"ۙ@VF@+H3@*5{u@ @+H3@D!Ty@i㈵?+H3@hnU@I5@镲@`!@ @+H3@F%u!@i㈵?+H3@*:$@VF@+H3@HȰw'@)?@~k @( @ꭁR@{>@HȰw@ R@{>@HȰw@{>@hnU@ꭁR@{>@g!@ R@{>@HȰw@{>@(rw?ꭁR@{>@HȰw@ R@{>@{>@(rw? W?*-9?HȰw@ W @*-9?D!T@g ͵@*-9?( @ W?*-9?+ٱw@ W @*-9?LTo lU@g ͵@*-9?hnU@ W?*-9?g!@ W @*-9?F%u$@g ͵@*-9?g!@g@h|@;@@[{"name": "FixAtoms", "kwargs": {"indices": [28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45]}}]vasp{}]b>_]cdMxy:WRq@H6.)3`YH'=?1zn+1%s}BI%r9?3`YJ4A?%s}BH'=1zn+1%s}B10&d?WOV w?q@H6?.)3`Yg?OV w?10&dWOV w?nla+T};l"3W?+d?};l"3W?%6? Om)#@x?nla?+T};l"3W?WxY? @M?H]H Om9?#@x?WxY @M?H%6 Om)#@x?Ndz?FSweG?GJdus? fh>!;oc?wak? Q?Û?ݴ!fL2r?{yo^ Q?Ûݴ!e]?o^fL2r{yo^8Cy?TPQ+m!jwak Q?Û?ݴ!TPQ+}?!j8CyTPQ+m!j덊?ң~?H[ңH[pwn|?_cDpF$aN?덊ң~?H[Q}>ʘf+/d6:?f+/?d6:?EeÚʢ?F$aN?Q}>ʘ?f+/d6:?pwn|_cDpF$aN?'Ŧs?'Ŧs?ƷR ! v{"str_E": -117.53508, "slab_E": -116.31755, "atom_E": -0.0039355698, "ads_E": -1.2135944301999964, "distance": 2.06321, "Dipole_val": -2.24575, "plane_index": 111, "ads_site": "3h"}{}.?co;!>>?s'@]@_vȴ #M c1fed584b1d6ce681051bbe36bee9a4e   systems  /-   ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  ads_site3h rr# plane_indexo! Dipole_valKƧ distance@t>= ads_EjE] atom_EpyPb slab_E]R<6 str_E]b>//  version9 #M c1fed584b1d6ce681051bbe36bee9a4e   @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