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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems 6(MD\{\lw 300141b0449449af0b566fa3f6b40fb8@7ł;@8x/Ѧheccoꐛ?E_A?$@oꐛ?n4@@$@A+0du?OIҵ@(A&$@ 1@c@zw?(A&$@ 1@"-@(A&$@ 1@OIҵ@iW!'$@oʡ@E_A?$@oʡ@n #M 300141b0449449af0b566fa3f6b40fb8   systems   6 vi\OB5(   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  j(b Y  M Bw no_equ_16ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168Bw no_equ_15ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174Au no_equ_14ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507Au no_equ_13ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321A u no_equ_12ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372A u no_equ_11ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537A u no_equ_10ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945@ u no_equ_9ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842@ u no_equ_8ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973@u no_equ_7ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941@u no_equ_6ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883@u no_equ_5ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283@u no_equ_4ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406@u no_equ_3ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226Aw no_equ_2ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909By no_equ_1ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372  ads_sitef rr# plane_indexd! Dipole_val?>˳ distance?$9,A ads_Ek*E atom_E:W slab_Egϕ str_EhR-#  version9 #M 300141b0449449af0b566fa3f6b40fb8   @7ł;  hecc  vasp    wj]PC6) no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10 no_equ_9 no_equ_8 no_equ_7 no_equ_6 no_equ_5 no_equ_4 no_equ_3 no_equ_2 no_equ_1 ads_site#plane_index!Dipole_val distance ads_E atom_E slab_E str_E qcUG9+ no_equ_16 no_equ_15 no_equ_14 no_equ_13 no_equ_12 no_equ_11 no_equ_10 no_equ_9 no_equ_8 no_equ_7 no_equ_6 no_equ_5 no_equ_4 no_equ_3 no_equ_2 no_equ_1  ads_site #plane_index!Dipole_val distance ads_E atom_E slab_E str_E4@@$@:KT@OIҵ@(A&$@ctv2x@x@?cZ2!@9#J{@6 r@})!@ctv2x@=ׄ@cZ2!@YQi@x@?cZ2!@ @6 r@})!@YQi@=ׄ@cZ2!@bJ$(?})!@6 r@" @JOc@})!@$?Yw?.@$?H3Mg@.@I ?OIҵ@n@ 1@ ϛ?n@ 1@ p@n@ 1@OIҵ@ڧ1#@u7@Yw?.@u7@H3Mg@.@XQi@OIҵ@n@_vO@@T:X@ĔH@6 r@@_vO@n͓@T:X@}"@@T:X@oe@6 r@@}"@n͓@T:X@`5!@@6 r@Y8ŭ@n燑@@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@,`&@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{}hRDhS[ s?S[ sHPXS[ s?S[ s?HPX W8?ҏS[? W8ҏS[? W8?ҏS[?IC3TS[ sS[ sHPXS[ sS[ s?HPX W8ҏS[?=\r)=?=\r)=$Di-?TsPEy76=\r)=?=\r)=?$Di-?=\r)==\r)=$Di-?TsPE?y76=\r)==\r)=?$Di-?TsPE?y76vEpTsPEy76 iTdK iTdK?mi*I? iTdK iTdKmi*I?4 ;8{V0?4 ;8?{V0?4 ;8{V0?s.UeU iTdK? iTdK?mi*I? iTdK? iTdKmi*I?4 ;8?{V0?N&O:aN&O:a?+b a>dN&O:aN&O:a+bN&O:a?N&O:a?+b ?a>dN&O:a?N&O:a+b ?a>db? a>dQ [w?Q [wwǿQ [w?Q [w?wǿXR>Ǘ?NǿXR>ǗNǿXR>Ǘ?NǿJ_9ǿQ [wQ [wwǿQ [wQ [w?wǿXR>ǗNǿYb+hzYb+hz?R{?Tf ~?̯?Yb+hzYb+hzR{?Yb+hz?Yb+hz?R{?Tf ~̯?Yb+hz?Yb+hzR{?Tf ~̯?D;)?Tf ~?̯?x"?V ?V ?)!c?>;{{"str_E": -197.51012, "slab_E": -190.59214, "atom_E": -1.5326215, "ads_E": -5.3853585, "distance": 0.772112, "Dipole_val": 0.472578, "plane_index": 100, "ads_site": "f", "no_equ_1": "ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372", "no_equ_2": "ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909", "no_equ_3": "ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226", "no_equ_4": "ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406", "no_equ_5": "ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283", "no_equ_6": "ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883", "no_equ_7": "ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941", "no_equ_8": "ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973", "no_equ_9": "ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842", "no_equ_10": "ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945", "no_equ_11": "ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537", "no_equ_12": "ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372", "no_equ_13": "ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321", "no_equ_14": "ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507", "no_equ_15": "ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174", "no_equ_16": "ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168"}{}7?"x? 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