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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems `'M<@ / @ )?v{@HPs$@KTo?C+ @vöE?],σ?Gɫs @&!@'†W@ ^@)D/?V}b @"7 @_$\?(rw? / @鲘|H.@HPs$@!vyC+ @uT5A@],σ?Gɫs @?5^I?ME*@f2}@odt䛭 @HQ @ME*@:ǀ?(\ @?W[?u@y)$@h㈵%#gaO?[Ɏ@Zd@Gɫs @nQ׻?@Ӈ.o@&pn~ yǩ?hs@jM@0@׻?޻ @Y/rZd@,g~$@ܝ.@%#gaO?vꭁ@Zd@Gɫs @A&9@d,@bg @(@i?iUM@Ù@6@=U @խS@&pn?Uj@+$@pӰ@C+ @uݰ@],σ?Gɫs @Qy@"@bg @G@ D @iUM@`q8@Q?=U @Ԃ}@c*_@Uj@+$@Nz1@C+ @!@],σ?Gɫs @= @sF@~:3P@IZ@=U @ '@8̒!@nS?7ُ @:#J{@V@L$@bbq@%#gaO?=>@Zd@Gɫs @{1@͍ @@%@=>t??:u@(\@H.!@?5^I @([Z @#?W}$@hs@~ @o'@q?w$@Y jƄ@V|9@vasp{}h/>h/>َw)uɘ?ZÙ?:R?2V?"]?XE|@3is{S?·g iUMuo?IpPUX6?ul瘿tw hW? U1~‰\U]7M0k?%<y?~^?]7?SςPǁ?0ҋ9% &Bn?ӄ'c|xN(D!T[ |{V0= $}Z?i6`h^^-c}?oB!ti@?A_zħHH-?UN{JΉ?s)?nUf?ytk;ŪAh_g?Qԙ{H?i?:u<,;co}]2|?R臭l?U謹5\䞞hej# XƆ¿ng_ynۧ1?{ʄɐcY?t?+PO?Oqx:}kϤ @?Ozю])ʥ? 7櫤:;E|'f?!J~O#-#ls{EAp-nG-y<-?pמY?IICs5>s?ۈ'l]j~lɪ7.5B??xZ?V̿I*S̩*nb%*?v6ħ?À%W?5?zm6Vbeխc?Û5x_?v?臭s?(dmlv|S:?c?=}qrg?QOIҭ?e '?.?Qٚ?9?ʓ?ՃF?ڷvN?S9P[??+{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -0.424, "absorption_structural_energy": -193.476, "absorption_energy": -21.537, "layer_distance": 1.422, "delta_charge_bader": 0.69, "dipole_bader": 4.709, "delta_charge_hirf": 0.644, "dipole_hirf": 4.397, "index": "(111)", "absorped_atom": "F", "absorped_pos": "h1"}{}1?\}c??ٵ@5b#@i #M 6f2e1c75aa69f56ee95fa85d118b9f8e   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posh1' absorped_atomF index(111) jN. # dipole_hirf@+ J/ delta_charge_hirf?䛥S% dipole_bader@t1 delta_charge_bader?zG) layer_distance?n/ absorption_energy5x(E absorption_structural_energyh/;dZ$= adsorption_atomic_energy"`A%? adsorption_surface_energyepn  version9 #M 6f2e1c75aa69f56ee95fa85d118b9f8e   @5 *z  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