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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems @(MT<CG#@ioE@5)^ @3P#@ioE@*Wx@3P#@9z~@E>G#@~8gDi?;i>?'; @sK!q?u@(yu @~8gDi?)[Z )"@'; @ @;i>?'; @.R\U @u@(yu @ @)[Z )"@'; @K;#@bۢ?9 { @K;#@u@rZ| @K;#@vi="@9 { @ 1?4 @ 1?6 @.94@ 1?k+@.94@Z![@$([@Vc@7qrC @P>B@Vc@)A&@P>B@I@$([@NC@7qrC @P>B@NC@)A&@P>B@Ry;i?aod?e/&@ x?u@>,@Ry;i?-"@e/&@Ve @aod?e/&@됛 @u@>,@Ve @-"@e/&@K;#@L F%?T㥛@@K;#@u@"3@K;#@!<82"@T㥛@@ 1?'$ @3@ 1?I@3@ 1?@ݘ@ @ @ݘ@9d@ @UMu@\].@3}ƅC@ @ @3}ƅC@9d@ @I +G@\].@ rh?G|?OIҵ @ rh?u@OIҵ @ rh?( ."@OIҵ @ٱ׵ @G|?OIҵ @ٱ׵ @u@OIҵ @ٱ׵ @( ."@OIҵ @K;#@G|?OIҵ @K;#@u@OIҵ @K;#@( ."@OIҵ @ 1?G| @ 1? 1?M@ 1? 1? 1?E@G| @ 1?E@M@ 1?E@ 1?gH@G| @ 1?gH@M@ 1?gH@ 1? rh?G|?ek}? rh?u@ek}? rh?( ."@ek}?ٱ׵ @G|?ek}?ٱ׵ @u@ek}?ٱ׵ @( ."@ek}?K;#@G|?ek}?K;#@u@ek}?K;#@( ."@ek}? 1?9&@1@C%@\n0Ե9@[{"name": "FixAtoms", "kwargs": {"indices": [45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71]}}]vasp{}oe6oPuQ?3jJ>vWuQ3jJ>vW@jw:`?x$^Uq4GV~Y:`?x$^U?q4GV~YX歺d?cwb:`x$^Uq4GV~Y:`x$^U?q4GV~YX歺dcwb3/PLVK8?מY?3/PLV?K8<3/P?LVK8מY?3/P?LV?K8<D'i֦?F_Ahؿ>'i֦F_Ahؿ}<ݭ,q)H׿'i֦?F_Ahؿ'i֦F_Ahؿ}<ݭ,q?)H׿$cՁA~?Z`?M Otp>uRz?$cՁA~Z`?$cՁ?A~?Z`?M Ot?p>uRz?$cՁ?A~Z`?uv?+ٱ?4Fj?uv+ٱ?yxρ9??fX?\Fe?2Wk J{"str_E": -255.13739, "slab_E": -252.09409, "atom_E": -0.34870277, "ads_E": -2.6945972300000163, "distance": 1.69855, "Dipole_val": 0.648806, "plane_index": 110, "ads_site": "0t"}{}I?]?@5-X*@;dZ