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))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems  q(MD\{\lm 60a978082364e2a3881d78c2d8135e32@7ł7@8yxheccPLۿ2?#0?DԷ$@PLۿ2?*@DԷ$@EJ?OIҵ@E$@ 1@eI?E$@ 1@@E$@ 1@OIҵ@K$@vꭁ@#0?DԷ$@vꭁ@*@DԷ$@ޣ@OIҵ@E$@%zr@Gŧh?$!@= @6 r@+E!@%zr@(yu@$!@0Bx@Gŧh?$!@=U #M 60a978082364e2a3881d78c2d8135e32   systems   6 vi\OB5(   no_equ_19  no_equ_18  no_equ_17  no_equ_16  no_equ_15  no_equ_14  no_equ_13  no_equ_12  no_equ_11  no_equ_10  no_equ_9  no_equ_8  no_equ_7  no_equ_6  no_equ_5  no_equ_4  no_equ_3  no_equ_2  no_equ_1  ads_site# plane_index ! Dipole_val  distance ads_E  atom_E  slab_E str_E  l*j* g % _  X ?q no_equ_19ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002@s no_equ_18ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002?q no_equ_17ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004@s no_equ_16ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007@s no_equ_15ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016Au no_equ_14ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030@s no_equ_13ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042? q no_equ_12ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068@ s no_equ_11ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162? q no_equ_10ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433? s no_equ_9ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933? s no_equ_8ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917>q no_equ_7ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705?s no_equ_6ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404?s no_equ_5ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655<m no_equ_4ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725@u no_equ_3ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570Aw no_equ_2ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156@u no_equ_1ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448  ads_sitef rr# plane_indexd! Dipole_val?Цv  distance?ك+ a ads_EeNJm atom_Eܤ$ slab_Egϕ str_Eh~|  version9 #M 60a978082364e2a3881d78c2d8135e32   @7ł7  hecc  vasp    wj]PC6) 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_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@6 r@+E!@0Bx@(yu@$!@g@+E!@6 r@.=!@BB@+E!@ԕ?"uq?U0*@ԕ?ec]@U0*@ۧ1?OIҵ@6o@ 1@(?6o@ 1@\*@6o@ 1@OIҵ@8@~j@"uq?U0*@~j@ec]@U0*@D@OIҵ@6o@OXe@h:;@j0 G@Kq@6 r@m2@OXe@On@j0 G@#@h:;@j0 G@^x@6 r@m2@#@On@j0 G@ctv2@m2@6 r@^@~jt@m2@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{}h,hB⨬13fc3fc?10&D3fc3fc10&D̯\?V9 `>9 `?t^c:?>9 `>9 `t^c:?;Dn{GzD?;Dn?{GzD?;Dn{GzD?]E~5?>9 `?>9 `?t^c:?>9 `?>9 `t^c:?;Dn?{GzD?MjhAMjhA?(ȯoǺV"L?MjhAMjhA(ȯoMjhA?MjhA?(ȯoǺV?"L?MjhA?MjhA(ȯoǺV?"L?)gǺV"L?Ku/3ldKu/3ld?8dǿKu/3ldKu/3ld8dǿ?T1ϓ?Ҩ6ʿ?T1ϓҨ6ʿ?T1ϓ?Ҩ6ʿU pAοKu/3ld?Ku/3ld?8dǿKu/3ld?Ku/3ld8dǿ?T1ϓҨ6ʿ1(hr1?1(hr1W`V?5w?I m6?1(hr1?1(hr1?W`V?1(hr11(hr1W`V?5wI m6?1(hr11(hr1?W`V?5w􏿕I m6?3 ?5w?I m6?I*SAp?fo&}?fo&}?Y)mX_?! v{"str_E": -198.31549, "slab_E": -190.59214, "atom_E": -3.123956, "ads_E": -4.599394000000011, "distance": 0.398631, "Dipole_val": 0.356485, "plane_index": 100, "ads_site": "f", "no_equ_1": "ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448", "no_equ_2": "ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156", "no_equ_3": "ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570", "no_equ_4": "ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725", "no_equ_5": "ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655", "no_equ_6": "ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404", "no_equ_7": "ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705", "no_equ_8": "ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917", "no_equ_9": "ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933", "no_equ_10": "ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433", "no_equ_11": "ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162", "no_equ_12": "ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068", "no_equ_13": "ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042", "no_equ_14": "ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030", "no_equ_15": "ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016", "no_equ_16": "ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007", "no_equ_17": "ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004", "no_equ_18": "ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002", "no_equ_19": "ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002"}{}7?uP1*?}&of@ ^@dZ