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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  k k (MD\{\l 5b9ec0af3c1903a2daf5fb3877a2bae5@7ł3mb@8y B\Yhecc;Nё\?S"^?%zr$@;Nё\?Ve?@%zr$@v?OIҵ@$@ 1@hHKe?$@ 1@J@$@ 1@OIҵ@ɓk&$@+j0 @S"^?%zr$@+j0 @Ve?@%zr$@V`Ȫ@OIҵ@$@@j+@2d!!@\wT@6 r@b=!@@@2d!!@:u<@j+@2d!!@]C@6 r@b=!@:u<@@2d!!@pq@b=!@6 r@Uj@+!@e@b=!@ 3?x&1?E>'@ 3?t@E>'@#?OIҵ@6;N@ 1@yCn?6;N@ 1@R8@6;N@ 1@OIҵ@9EGr@ׁ@x&1?E>' #M 5b9ec0af3c1903a2daf5fb3877a2bae5   systems   6 vi\OB5(   no_equ_21  no_equ_20  no_equ_19  no_equ_18  no_equ_17  no_equ_16  no_equ_15  no_equ_14  no_equ_13  no_equ_12  no_equ_11  no_equ_10  no_equ_9  no_equ_8  no_equ_7  no_equ_6  no_equ_5  no_equ_4  no_equ_3  no_equ_2  no_equ_1  ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  Z7 d  A h  @ H no_equ_21ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928H no_equ_20ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715H no_equ_19ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837H no_equ_18ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335H no_equ_17ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025E} no_equ_16ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513H no_equ_15ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345F no_equ_14ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371H no_equ_13ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632F  no_equ_12ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531H  no_equ_11ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693E } no_equ_10ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339E  no_equ_9ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037E  no_equ_8ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472C{ no_equ_7ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061G no_equ_6ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915H no_equ_5ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223C{ no_equ_4ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427I no_equ_3ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762I no_equ_2ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067J no_equ_1ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493  ads_sitef rr# plane_indexd! Dipole_val?ۗ"5 distance?Лl3/ ads_EkQ atom_ENp[I slab_Egϕ str_Eh.  version9 #M 5b9ec0af3c1903a2daf5fb3877a2bae5   @7ł3mb  hecc  vasp    wj]PC6) no_equ_21 no_equ_20 no_equ_19 no_equ_18 no_equ_17 no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10 no_equ_9 no_equ_8 no_equ_7 no_equ_6 no_equ_5 no_equ_4 no_equ_3 no_equ_2 no_equ_1 ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E qcUG9+ no_equ_21 no_equ_20 no_equ_19 no_equ_18 no_equ_17 no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10 no_equ_9 no_equ_8 no_equ_7 no_equ_6 no_equ_5 no_equ_4 no_equ_3 no_equ_2 no_equ_1  ads_site #plane_index!Dipole_val distance ads_E atom_E slab_E str_E@ׁ@t@E>'@4 @OIҵ@6;N@Ll> @:f@Y@5@6 r@#bJ@Ll> @YB@Y@䃞ͪ@:f@Y@@6 r@#bJ@䃞ͪ@YB@Y@0@#bJ@6 r@b@a֔@#bJ@ek}?ek}?_@ek}? 1@_@ek}?OIҵ@_@ 1@ek}?_@ 1@ 1@_@ 1@OIҵ@_@OIҵ@ek}?_@OIҵ@ 1@_@OIҵ@OIҵ@_@6 r@\wT\?6 r@6 r@\wT\?6 r@oG8-x@\wT\?oG8-x@\wT\?oG8-x@6 r@\wT\?oG8-x@oG8-x@\wT\?\wT\?6 r@\wT\?oG8-x@\wT\?6 r@JRP%@1@1@4}=@[{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}]vasp{}hh9R?h㈵>h㈵ԾnKX[?h㈵>h㈵>nKX[?x #1?>[{cx #1>[{cx #1?>[{c'Q|h㈵Ծh㈵ԾnKX[?h㈵Ծh㈵>nKX[?x #1>[{cO'3?O'3W\T[oӟHi?:vPw?O'3?O'3?W\T[O'3O'3W\T[oӟHi:vPw?O'3O'3?W\T[oӟHi:vPw?M]~?oӟHi?:vPw?մi{m?մi{mj,am}մi{m?մi{m?j,am}b[>N?}\*{b[>N}\*{b[>N?}\*{zմi{mմi{mj,am}մi{mմi{m?j,am}b[>N}\*{() l() l?-;F?㊋rS?¾D1?() l() l-;F?() l?() l?-;F?㊋rS¾D1?() l?() l-;F?㊋rS¾D1? ?㊋rS?¾D1?[z4c[z4c?bA Bȿ[z4c[z4cbA Bȿy?VW9ȿyVW9ȿy?VW9ȿ2 {Ͽ[z4c?[z4c?bA Bȿ[z4c?[z4cbA BȿyVW9ȿM ĝ?M ĝU*?uۈ'i=dʇj?M ĝ?M ĝ?U*?M ĝM ĝU*?uۈ'i?=dʇj?M ĝM ĝ?U*?uۈ'i?=dʇj?W?uۈ'i=dʇj?QcB%u?\VPW?\VPW?nʽf? z{"str_E": -198.09409, "slab_E": -190.59214, "atom_E": -1.2476334, "ads_E": -6.254316599999994, "distance": 0.259519, "Dipole_val": 0.431093, "plane_index": 100, "ads_site": "f", "no_equ_1": "ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493", "no_equ_2": "ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067", "no_equ_3": "ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762", "no_equ_4": "ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427", "no_equ_5": "ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223", "no_equ_6": "ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915", "no_equ_7": "ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061", "no_equ_8": "ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472", "no_equ_9": "ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037", "no_equ_10": "ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339", "no_equ_11": "ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693", "no_equ_12": "ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531", "no_equ_13": "ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632", "no_equ_14": "ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371", "no_equ_15": "ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345", "no_equ_16": "ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513", "no_equ_17": "ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025", "no_equ_18": "ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335", "no_equ_19": "ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837", "no_equ_20": "ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715", "no_equ_21": "ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928"}{}7?z?WPV\@ ^@p