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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems a'M< Y@L2r?5oy@XOp@!vy@([Z?x@?@e$@2ZGU@镲 @0@YO0^@^) @([Z?V`Ȫ @ Tƿ@@H0@D4 @c=y$@@߾\@_@!vy?Q@=yX@.R\Uv@fN@!vy?Ɏ@@_@Nz1@_$\@!vy?'IL@,Ԛ@Yni5$.@1%2@^) @!vy@([Z?V`Ȫ @d$@@H0@D4 @q@@߾\@ŏ1w@([Z?-i&?c]F@(,@%;6@@E@^)?bհ@X?S:"@ h"lx@I?bհ@ޓZs@^)?@z!@->x?bհ@ 3mʊ@L2r??m9̗?'֩?t|8c3?)%? / r\qqTnf?;g,{2YİØd`TR?bBW"p?7T7?U+S?5WtTkaC8`:۠ o_ڿo.2?@4i?S iTSVӕ?뉮 >?mA?ٱ?[Cڿ@d&ޑ Z+|8t̉T~ ?fܶ]/MAS4?4`K2ys?^_ѝ?ςP\?}:?rQ-"+3<֌$?'b W?Q}>ʘ?eo)狽W?Un;A?ٱ[Cڿ@d&ޑ Z+|?8t̉T~ fܶ(o?dzziۿϷKu?pz?pYqm秿%"ܬ:#J{/?En1?jL?t|8c3?)%凿 / r[u?h󶿮g,{2YİØ?d`TR?pG?+Pô?U+S?5Wt?Tka(o?dz?ziۿϷKu?pzpYqm秿%"ܬ?:#J{/?0עh[T:ƥTn.ڿyxeP@֓?801}!8.?xWA t ?mUYFD?4`K2ys^_ѝ?%nlfܺrQ-"+3<֌?$?j+sR{mDŽ?eo)狽W?U?n;0עh[T:ƥ?Tn.ڿyxeP@֓801}!8.?x?WA t ?^hW[ɎEȕ?ˎ?cv?Ӌw!?$6{"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -185.087, "absorption_energy": -17.662, "layer_distance": 1.974, "delta_charge_bader": 1.111, "dipole_bader": 10.534, "delta_charge_hirf": 2.01, "dipole_hirf": 19.054, "index": "(110)", "absorped_atom": "N", "absorped_pos": "h"}{}1?٦-?E@@nzH #M 457f0c6f5eda2f9d228aa86de92aa40c   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posh' absorped_atomN index(110) jN. # dipole_hirf@3 / delta_charge_hirf@zG% dipole_bader@%hr 1 delta_charge_bader?Ƨ-) layer_distance?$// absorption_energy1x(E absorption_structural_energyg"ȴ9X$= adsorption_atomic_energyE%? adsorption_surface_energydl  version9 #M 457f0c6f5eda2f9d228aa86de92aa40c   @5 *72  hecc  vasp   e>T.$|%absorped_pos 'absorped_atom index #dipole_hirf /delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy %absorped_pos'absorped_atom index .e>T.|#dipole_hirf /delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy