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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  N N'(MD\{\lY 7eb55b93620057c199bf69aaf580c616@7łC @8|Xhecc6 r@0|Dl,@?g\8?N@$@?<@N@$@n2d?OIҵ@P2˲$@ 1@q>??P2˲$@ 1@&:@P2˲$@ 1@OIҵ@P6 $@L;@g\8?N@$@L;@<@N@$@/񝘵@OIҵ@P2˲$@ަ?@Dn@(a_)!@n燑@6 r@DU)!@ަ?@6o@(a_)!@J4@Dn@(a_)!@ݰm@6 r@DU)!@J4@6o@(a_)!@y)@DU)!@6 r@%jj)!@Z| @DU)!@o\?oӟH?tF@o\?BsF@tF@80?OIҵ@D )@ 1@y):?D )@ 1@o_@D )@ 1@OIҵ@&pn@/ǵ@oӟH?tF@/ǵ@BsF@tF@t@OIҵ@D )@ rh@iUMu>v7Ouȭ@+ٱ@6 r@@ rh@4Op@v7Ouȭ@Z| @iUMu>v7Ouȭ@'X@6 r@@Z| @4Op@v7Ouȭ@l/@@6 r@:@ĔH@@ek}?ek}?_@ek}? 1@_@ek}?OIҵ@_@ 1@ek}?_@ 1@ 1@_@ 1@OIҵ@_@OIҵ@ek}?_@OIҵ@ 1@_@OIҵ@OIҵ@_@6 r@\wT\?6 r@6  #M 7eb55b93620057c199bf69aaf580c616   systems  6  ' vi\OB5( rdVH:, ' no_equ_31 & no_equ_30 % no_equ_29 $ no_equ_28 # no_equ_27 " no_equ_26 ! no_equ_25  no_equ_24  no_equ_23  no_equ_22  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 p/n, f % _  X  Q  J A@ s no_equ_31ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005Au no_equ_30ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005@s no_equ_29ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005@s no_equ_28ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005@s no_equ_27ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005?q no_equ_26ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005@s no_equ_25ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005@s no_equ_24ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005@s no_equ_23ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005@s no_equ_22ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005?q no_equ_21ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005@s no_equ_20ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005@s no_equ_19ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005@s no_equ_18ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005@s no_equ_17ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006?q no_equ_16ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006@s no_equ_15ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007@s no_equ_14ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008@s no_equ_13ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009@ s no_equ_12ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010? q no_equ_11ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012@ s no_equ_10ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014@ u no_equ_9ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016@ u no_equ_8ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017@u no_equ_7ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015=o no_equ_6ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007?s no_equ_5ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014?s no_equ_4ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057?s no_equ_3ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139?s no_equ_2ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278>q no_equ_1ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500  ads_sitef rr# plane_indexd! Dipole_valϲZ distance@0 ads_E?U@ atom_E slab_Egϕ str_EgKC  version9 #M 7eb55b93620057c199bf69aaf580c616   @7łC  hecc  vasp   '  seWI;-w j]PC6) no_equ_31' no_equ_30& no_equ_29% no_equ_28$ no_equ_27# no_equ_26" no_equ_25! no_equ_24 no_equ_23 no_equ_22 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 KqcUG9+ugYK no_equ_31 no_equ_30 no_equ_29 no_equ_28 no_equ_27 no_equ_26 no_equ_25 no_equ_24 no_equ_23 no_equ_22 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_Er@\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\?1@1@4}=@[{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}]vasp{}gD`gps8Mb rfB??rfB?.hrfB??rfB??.h܂Y # f?܂Y? # f?܂Y # f?q@Hf?rfB?rfB?.hrfB?rfB??.h܂Y? # f?"\"\?p>?P? Y6Ko.J"\"\p>?P"\?"\?p>?P? Y?6Ko.J"\?"\p>?P? Y?6Ko.JsmBY1\-?_>Y1\-c#G?N ^5tiP_>Y1\-?_>Y1\-?c#G?_>Y1\-_>Y1\-c#G?N ^5?tiP_>Y1\-_>Y1\-?c#G?N ^5?tiPǁW}N ^5tiP\5Q\5Q? oſ\5Q\5Q oſ`x%s}OS{F"ƿ`x%s}O?S{F"ƿ`x%s}OS{F"ƿ:#J{/ƿ\5Q?\5Q? oſ\5Q?\5Q oſ`x%s}O?S{F"ƿ iTd;? iTd;P2b?oӟHI? ?n? iTd;? iTd;?P2b? iTd; iTd;P2b?oӟHI ?n? iTd; iTd;?P2b?oӟHI ?n?XvMHk?oӟHI? ?n?ȋ7s3?ȋ7s3?vkb? cK{"str_E": -190.59757, "slab_E": -190.59214, "atom_E": -0.025496589, "ads_E": 0.020066589000010168, "distance": 3.86136, "Dipole_val": -0.0487431, "plane_index": 100, "ads_site": "f", "no_equ_1": "ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500", "no_equ_2": "ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278", "no_equ_3": "ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139", "no_equ_4": "ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057", "no_equ_5": "ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014", "no_equ_6": "ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007", "no_equ_7": "ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015", "no_equ_8": "ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017", "no_equ_9": "ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016", "no_equ_10": "ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014", "no_equ_11": "ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012", "no_equ_12": "ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010", "no_equ_13": "ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009", "no_equ_14": "ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008", "no_equ_15": "ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007", "no_equ_16": "ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006", "no_equ_17": "ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006", "no_equ_18": "ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005", "no_equ_19": "ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005", "no_equ_20": "ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005", "no_equ_21": "ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005", "no_equ_22": "ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005", "no_equ_23": "ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005", "no_equ_24": "ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005", "no_equ_25": "ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005", "no_equ_26": "ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005", "no_equ_27": "ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005", "no_equ_28": "ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005", "no_equ_29": "ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005", "no_equ_30": "ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005", "no_equ_31": "ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005"}{}7?}W?3s7@ ^@/