OpenKIM Query

Examples
Basic usage Specifying SI units Retrieving multiple keys

A square-bracketed list containing the Test name. The following formats are accepted: ["CC_DDDDDDDDDDDD"], ["TestName__CC_DDDDDDDDDDDD"], ["CC_DDDDDDDDDDDD_VVV"], ["TestName__CC_DDDDDDDDDDDD_VVV"]. Generally, the three digit version extension (VVV) should be omitted so that the latest version of the Test will be queried on. For more on KIM IDs, refer to the Guide to KIM IDs.

Accepted formats are identical to those above and, similar to above, the three digit version extension should generally be omitted.

A square-bracketed, comma-separated list of quoted strings corresponding to standard elemental symbols (case sensitive). Test Results returned will be required to contain each element listed. If an empty array list is requested, only properties that specifically lack a "species" field will match.

A square-bracketed list containing the property name. May be specified as either the short name of a Property Definition, e.g. structure-cubic-crystal-npt, or the full property ID, e.g. ["tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt"]. Only the short name should generally be used so that the latest version of the Property Definition is queried on. See here for a current list of Property Definitions.

Ordered array of keys specified as a square-bracketed, comma-separated list of quoted strings. The order of the keys must correspond to the order of the entries in the 'Units' field below.

A square-bracketed, comma-separated list of quoted strings indicating the desired units that the value of each key should be returned in. The order of the entries in this list should correspond to the order of the entries in the 'Keys' field above. Valid strings for units are any of those recognized by the GNU units utility, or the special string "SI". Keys which are unitless must have a value of null (case-sensitive and unquoted).

Examples
Get all jobs that are currently running Get all Test Drivers in the database Get all fcc Al lattice constants and the Model that ran them
Longest running Test name and time Get a 10 line tail of the logs Get the lowest energy crystal structure for each Model using Al

Things you want true, as a dictionary of key value pairs, e.g. {"type": "td"} makes sure that all objects are test drivers.

Things you want back, as a dictionary of booleans, e.g. {"type":1, "path":1} returns just type and path (and '_id')

A mongodb aggregation pipeline. Use $sort, $limit, $skip, and $distinct aggregation pipeline stages instead of entering in their respective fields below if using aggregate(). For more information, check the docs

Database you want, valid options are [obj, data, job, log, agent]

Things you want sorted on, as a string, or a list with direction, e.g. "kimcode" sorts on kimcode, [["kimcode", -1]] gives reverse kimcode

How many you want, an integer, how it stops, leave empty for all

How many you want to skip, relevant if ordered

Things you want distinct, just a key, e.g. "type" would return distinct type fields. Note, this doesn't play well with others.

Reduce result to an array where the columns are ordered by this list i.e. ["meta.kimcode", "crystal-structure.a.source-value"]. Implies flatten.

Whether or not to flatten the keys in the dictionary

Return full database history. By default, only returns latest data

Return only count of number results created by query

Results

[
    {
        "executables": [
            "runner",
            "test_template/template_"
        ],
        "domain": "openkim.org",
        "publication-year": "2014",
        "created_on": "2018-05-08 15:31:13.187898",
        "properties": [
            "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal"
        ],
        "contributor-id": "4d62befd-21c4-42b8-a472-86132e6591f3",
        "makeable": true,
        "author": "Daniel Karls",
        "kimid-version": "002",
        "kimcode": "LammpsExample2__TD_887699523131_002",
        "short-id": "TD_887699523131_002",
        "version": 2,
        "pipeline-api-version": "1.0",
        "inserted_on": "2018-05-08 22:57:28.184532",
        "kimnum": "887699523131",
        "shortcode": "TD_887699523131",
        "description": "This example Test Driver illustrates the use of LAMMPS in the openkim-pipeline\nto compute an energy-volume curve (more specifically, a cohesive energy-lattice\nconstant curve) for a given cubic lattice (fcc, bcc, sc, diamond) of a single given\nspecies. The curve is computed for lattice constants ranging from a_min to a_max,\nwith most samples being about a_0 (a_min, a_max, and a_0 are specified via stdin.\na_0 is typically approximately equal to the equilibrium lattice constant.). The precise\nscaling of sample points going from a_min to a_0 and from a_0 to a_max is specified\nby two separate parameters passed from stdin.  Please see README.txt for further\ndetails.",
        "kimid-version-as-integer": 2,
        "extended-id": "LammpsExample2__TD_887699523131_002",
        "driver": true,
        "simulator-name": "LAMMPS",
        "path": "td/LammpsExample2__TD_887699523131_002",
        "kim-api-version": "1.9.0",
        "approved": true,
        "kimid-typecode": "td",
        "name": "LammpsExample2",
        "kimid-prefix": "LammpsExample2",
        "type": "td",
        "title": "LammpsExample2: energy-volume curve for monoatomic cubic lattice",
        "maintainer-id": "4d62befd-21c4-42b8-a472-86132e6591f3",
        "kimid-number": "887699523131",
        "latest": true
    },
    {
        "domain": "openkim.org",
        "publication-year": "2016",
        "created_on": "2018-05-08 15:31:13.203897",
        "properties": [
            "tag:staff@noreply.openkim.org,2015-05-26:property/cohesive-energy-lattice-invariant-shear-path-cubic-crystal"
        ],
        "contributor-id": "e2ada8d8-70b2-4ffc-843e-a69df752ed91",
        "makeable": true,
        "author": "Jiadi Fan",
        "kimid-version": "001",
        "kimcode": "LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001",
        "short-id": "TD_083627594945_001",
        "version": 1,
        "pipeline-api-version": "1.0",
        "inserted_on": "2018-05-08 22:58:28.001841",
        "kimnum": "083627594945",
        "shortcode": "TD_083627594945",
        "description": "This test driver is used to test lattice invariance shear in a cubic crystal based on cb-kim code. Initial guess of lattice parameter, shear direction vector, shear plane normal vector, relaxation optional key need to be set as input. The output will be first PK stress, stiffness matrix, cohesive energy, and displacement of shuffle (if relaxation optional key is true)",
        "kimid-version-as-integer": 1,
        "extended-id": "LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001",
        "driver": true,
        "simulator-name": "none",
        "path": "td/LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001",
        "kim-api-version": "1.6",
        "approved": true,
        "kimid-typecode": "td",
        "name": "LatticeInvariantShearPathCubicCrystalCBKIM",
        "kimid-prefix": "LatticeInvariantShearPathCubicCrystalCBKIM",
        "type": "td",
        "title": "Cohesive energy versus shear parameter relation for a cubic crystal",
        "maintainer-id": "e2ada8d8-70b2-4ffc-843e-a69df752ed91",
        "kimid-number": "083627594945",
        "latest": true
    },
    {
        "executables": [
            "runner"
        ],
        "domain": "openkim.org",
        "publication-year": "2018",
        "created_on": "2018-05-08 15:31:13.223897",
        "properties": [
            "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt",
            "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt",
            "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt"
        ],
        "contributor-id": "e2ada8d8-70b2-4ffc-843e-a69df752ed91",
        "makeable": true,
        "author": "Jiadi Fan",
        "kimid-version": "000",
        "kimcode": "binary_alloy_elastic_constant__TD_601231739727_000",
        "short-id": "TD_601231739727_000",
        "version": 0,
        "inserted_on": "2018-05-08 22:58:59.403416",
        "kimnum": "601231739727",
        "shortcode": "TD_601231739727",
        "description": "Computes the elastic constant for binary alloy system.",
        "kimid-version-as-integer": 0,
        "extended-id": "binary_alloy_elastic_constant__TD_601231739727_000",
        "driver": true,
        "path": "td/binary_alloy_elastic_constant__TD_601231739727_000",
        "kim-api-version": "1.9.0",
        "approved": true,
        "kimid-typecode": "td",
        "name": "binary_alloy_elastic_constant",
        "kimid-prefix": "binary_alloy_elastic_constant",
        "type": "td",
        "title": "Elastic constants of cubic binary alloys",
        "maintainer-id": "e2ada8d8-70b2-4ffc-843e-a69df752ed91",
        "kimid-number": "601231739727",
        "latest": true
    },
    {
        "executables": [
            "runner"
        ],
        "domain": "openkim.org",
        "publication-year": "2018",
        "created_on": "2018-07-12 22:49:25.400736",
        "properties": [
            "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal"
        ],
        "contributor-id": "4d62befd-21c4-42b8-a472-86132e6591f3",
        "makeable": true,
        "author": "Daniel Karls",
        "kimid-version": "004",
        "kimcode": "LammpsExample__TD_567444853524_004",
        "short-id": "TD_567444853524_004",
        "version": 4,
        "inserted_on": "2018-07-13 03:49:25.671370",
        "kimnum": "567444853524",
        "shortcode": "TD_567444853524",
        "description": "This example Test Driver illustrates the use of LAMMPS to compute the equilibrium lattice spacing and cohesive energy of fcc argon using Polak-Ribiere conjugate gradient minimization in LAMMPS and an initial guess at the equilibrium lattice spacing supplied by the user through pipeline.stdin.tpl.",
        "kimid-version-as-integer": 4,
        "extended-id": "LammpsExample__TD_567444853524_004",
        "driver": true,
        "simulator-name": "LAMMPS",
        "path": "td/LammpsExample__TD_567444853524_004",
        "kim-api-version": "1.9.0",
        "approved": true,
        "kimid-typecode": "td",
        "name": "LammpsExample",
        "kimid-prefix": "LammpsExample",
        "type": "td",
        "title": "LammpsExample: cohesive energy and equilibrium lattice constant of fcc argon",
        "maintainer-id": "4d62befd-21c4-42b8-a472-86132e6591f3",
        "kimid-number": "567444853524",
        "latest": true
    },
    {
        "extended-id": "LatticeConstantCubicEnergy__TD_475411767977_007",
        "short-id": "TD_475411767977_007",
        "kimid-prefix": "LatticeConstantCubicEnergy",
        "kimid-typecode": "td",
        "kimid-number": "475411767977",
        "kimid-version": "007",
        "kimid-version-as-integer": 7,
        "name": "LatticeConstantCubicEnergy",
        "type": "td",
        "kimnum": "475411767977",
        "version": 7,
        "shortcode": "TD_475411767977",
        "kimcode": "LatticeConstantCubicEnergy__TD_475411767977_007",
        "path": "td/LatticeConstantCubicEnergy__TD_475411767977_007",
        "approved": true,
        "inserted_on": "2019-07-10 20:23:29.773758",
        "latest": true,
        "makeable": true,
        "driver": true,
        "contributor-id": "4d62befd-21c4-42b8-a472-86132e6591f3",
        "description": "Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure.",
        "doi": "10.25950/2765e3bf",
        "domain": "openkim.org",
        "executables": [
            "runner",
            "test_template/runner"
        ],
        "kim-api-version": "2.0",
        "maintainer-id": "4d62befd-21c4-42b8-a472-86132e6591f3",
        "properties": [
            "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal",
            "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt"
        ],
        "publication-year": "2019",
        "simulator-name": "ase",
        "title": "Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure v007",
        "created_on": "2019-07-10 15:23:29.384734",
        "developer": [
            "4d62befd-21c4-42b8-a472-86132e6591f3",
            "c429164b-1b03-4ce3-a3a8-2568dd2bc449"
        ]
    },
    {
        "extended-id": "ElasticConstantsCubic__TD_011862047401_006",
        "short-id": "TD_011862047401_006",
        "kimid-prefix": "ElasticConstantsCubic",
        "kimid-typecode": "td",
        "kimid-number": "011862047401",
        "kimid-version": "006",
        "kimid-version-as-integer": 6,
        "name": "ElasticConstantsCubic",
        "type": "td",
        "kimnum": "011862047401",
        "version": 6,
        "shortcode": "TD_011862047401",
        "kimcode": "ElasticConstantsCubic__TD_011862047401_006",
        "path": "td/ElasticConstantsCubic__TD_011862047401_006",
        "approved": true,
        "inserted_on": "2019-07-11 20:50:03.335764",
        "latest": true,
        "makeable": true,
        "driver": true,
        "contributor-id": "360c0aed-48ce-45f6-ba13-337f12a531e8",
        "description": "Computes the cubic elastic constants for some common crystal types (fcc, bcc, sc, diamond) by calculating the hessian of the energy density with respect to strain.  An estimate of the error associated with the numerical differentiation performed is reported.",
        "doi": "10.25950/5853fb8f",
        "domain": "openkim.org",
        "executables": [
            "runner",
            "test_template/runner"
        ],
        "kim-api-version": "2.0",
        "maintainer-id": "360c0aed-48ce-45f6-ba13-337f12a531e8",
        "properties": [
            "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt",
            "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt"
        ],
        "publication-year": "2019",
        "simulator-name": "ase",
        "source-citations": [
            {
                "address": "New York",
                "author": "H.B. Huntington",
                "doi": "10.1016/S0081-1947(08)60553-6",
                "journal": "Solid State Physics",
                "pages": "213--351",
                "publisher": "Academic Press",
                "recordkey": "TD_011862047401_006a",
                "recordtype": "article",
                "title": "The Elastic Constants of Crystals",
                "volume": "7",
                "year": "1958"
            }
        ],
        "title": "Elastic constants for cubic crystals at zero temperature and pressure v006",
        "created_on": "2019-07-11 15:50:02.944366",
        "developer": [
            "360c0aed-48ce-45f6-ba13-337f12a531e8",
            "c429164b-1b03-4ce3-a3a8-2568dd2bc449"
        ]
    },
    {
        "extended-id": "CohesiveEnergyVsLatticeConstant__TD_554653289799_003",
        "short-id": "TD_554653289799_003",
        "kimid-prefix": "CohesiveEnergyVsLatticeConstant",
        "kimid-typecode": "td",
        "kimid-number": "554653289799",
        "kimid-version": "003",
        "kimid-version-as-integer": 3,
        "name": "CohesiveEnergyVsLatticeConstant",
        "type": "td",
        "kimnum": "554653289799",
        "version": 3,
        "shortcode": "TD_554653289799",
        "kimcode": "CohesiveEnergyVsLatticeConstant__TD_554653289799_003",
        "path": "td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003",
        "approved": true,
        "inserted_on": "2019-07-12 02:18:36.315233",
        "latest": true,
        "makeable": true,
        "driver": true,
        "author": "Daniel S. Karls",
        "contributor-id": "4d62befd-21c4-42b8-a472-86132e6591f3",
        "description": "This Test Driver uses LAMMPS to compute the cohesive energy of a given monoatomic cubic lattice (fcc, bcc, sc, or diamond) at a variety of lattice spacings.  The lattice spacings range from a_min (=a_min_frac*a_0) to a_max (=a_max_frac*a_0) where a_0, a_min_frac, and a_max_frac are read from stdin (a_0 is typically approximately equal to the equilibrium lattice constant).  The precise scaling and number of lattice spacings sampled between a_min and a_0 (a_0 and a_max) is specified by two additional parameters passed from stdin: N_lower and samplespacing_lower (N_upper and samplespacing_upper).  Please see README.txt for further details.",
        "doi": "10.25950/64cb38c5",
        "domain": "openkim.org",
        "executables": [
            "runner",
            "test_template/template_"
        ],
        "kim-api-version": "2.0",
        "maintainer-id": "4d62befd-21c4-42b8-a472-86132e6591f3",
        "properties": [
            "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal"
        ],
        "publication-year": "2019",
        "simulator-name": "LAMMPS",
        "title": "Cohesive energy versus lattice constant curve for monoatomic cubic lattices v003",
        "created_on": "2019-07-11 21:18:34.667473",
        "developer": [
            "4d62befd-21c4-42b8-a472-86132e6591f3"
        ],
        "implementer": []
    },
    {
        "extended-id": "PhononDispersionCurve__TD_530195868545_004",
        "short-id": "TD_530195868545_004",
        "kimid-prefix": "PhononDispersionCurve",
        "kimid-typecode": "td",
        "kimid-number": "530195868545",
        "kimid-version": "004",
        "kimid-version-as-integer": 4,
        "name": "PhononDispersionCurve",
        "type": "td",
        "kimnum": "530195868545",
        "version": 4,
        "shortcode": "TD_530195868545",
        "kimcode": "PhononDispersionCurve__TD_530195868545_004",
        "path": "td/PhononDispersionCurve__TD_530195868545_004",
        "approved": true,
        "inserted_on": "2019-07-12 06:51:21.433810",
        "latest": true,
        "makeable": true,
        "driver": true,
        "contributor-id": "8f8225b4-8b9c-439d-879d-45ee35db5757",
        "description": "Calculates the phonon dispersion relations for fcc lattices and records the results as curves.",
        "doi": "10.25950/64f4999b",
        "domain": "openkim.org",
        "executables": [
            "runner",
            "test_template/runner"
        ],
        "kim-api-version": "2.0",
        "maintainer-id": "8f8225b4-8b9c-439d-879d-45ee35db5757",
        "properties": [
            "tag:staff@noreply.openkim.org,2014-05-21:property/phonon-dispersion-dos-cubic-crystal-npt",
            "tag:staff@noreply.openkim.org,2014-05-21:property/phonon-dispersion-relation-cubic-crystal-npt"
        ],
        "publication-year": "2019",
        "simulator-name": "ase",
        "title": "Phonon dispersion relations for an fcc lattice v004",
        "created_on": "2019-07-12 01:51:21.037358",
        "developer": [
            "8f8225b4-8b9c-439d-879d-45ee35db5757"
        ]
    },
    {
        "extended-id": "SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004",
        "short-id": "TD_955413365818_004",
        "kimid-prefix": "SurfaceEnergyCubicCrystalBrokenBondFit",
        "kimid-typecode": "td",
        "kimid-number": "955413365818",
        "kimid-version": "004",
        "kimid-version-as-integer": 4,
        "name": "SurfaceEnergyCubicCrystalBrokenBondFit",
        "type": "td",
        "kimnum": "955413365818",
        "version": 4,
        "shortcode": "TD_955413365818",
        "kimcode": "SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004",
        "path": "td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004",
        "approved": true,
        "inserted_on": "2019-07-12 16:37:22.287242",
        "latest": true,
        "makeable": true,
        "driver": true,
        "contributor-id": "8f8225b4-8b9c-439d-879d-45ee35db5757",
        "description": "Calculates the surface energy of several high symmetry surfaces and produces a broken-bond model fit. In latex form, the fit equations are given by:\n\nE_{FCC} (\\vec{n}) = p_1 (4 \\left( |x+y| + |x-y| + |x+z| + |x-z| + |z+y| +|z-y|\\right)) + p_2 (8 \\left( |x| + |y| + |z|\\right))  + p_3 (2 ( |x+ 2y + z| + |x+2y-z| + |x-2y + z| + |x-2y-z| + |2x+y+z| + |2x+y-z| +|2x-y+z| +|2x-y-z| +|x+y+2z| +|x+y-2z| +|x-y+2z| +|x-y-2z| ) + c\n\nE_{BCC} (\\vec{n}) = p_1 (6 \\left( | x+y+z| + |x+y-z| + |-x+y-z| + |x-y+z| \\right)) + p_2 (8 \\left( |x| + |y| + |z|\\right)) + p_3 (4 \\left( |x+y| + |x-y| + |x+z| + |x-z| + |z+y| +|z-y|\\right)) +c.\n\nIn Python, these two fits take the following form:\n\ndef BrokenBondFCC(params, index):\n\n    import numpy\n    x, y, z = index\n    x = x / numpy.sqrt(x**2.+y**2.+z**2.)\n    y = y / numpy.sqrt(x**2.+y**2.+z**2.)\n    z = z / numpy.sqrt(x**2.+y**2.+z**2.)\n\n    return params[0]*4* (abs(x+y) + abs(x-y) + abs(x+z) + abs(x-z) + abs(z+y) + abs(z-y)) + params[1]*8*(abs(x) + abs(y) + abs(z)) + params[2]*(abs(x+2*y+z) + abs(x+2*y-z) +abs(x-2*y+z) +abs(x-2*y-z) + abs(2*x+y+z) +abs(2*x+y-z) +abs(2*x-y+z) +abs(2*x-y-z) + abs(x+y+2*z) +abs(x+y-2*z) +abs(x-y+2*z) +abs(x-y-2*z))+params[3]\n\ndef BrokenBondBCC(params, x, y, z):\n\n\n    import numpy\n    x, y, z = index\n    x = x / numpy.sqrt(x**2.+y**2.+z**2.)\n    y = y / numpy.sqrt(x**2.+y**2.+z**2.)\n    z = z / numpy.sqrt(x**2.+y**2.+z**2.)\n\n    return params[0]*6*(abs(x+y+z) + abs(x-y-z) + abs(x-y+z) + abs(x+y-z)) + params[1]*8*(abs(x) + abs(y) + abs(z)) + params[2]*4* (abs(x+y) + abs(x-y) + abs(x+z) + abs(x-z) + abs(z+y) + abs(z-y)) + params[3]",
        "doi": "10.25950/6c43a4e6",
        "domain": "openkim.org",
        "executables": [
            "runner",
            "test_template/runner"
        ],
        "kim-api-version": "2.0",
        "maintainer-id": "8f8225b4-8b9c-439d-879d-45ee35db5757",
        "properties": [
            "tag:staff@noreply.openkim.org,2014-05-21:property/surface-energy-broken-bond-fit-cubic-bravais-crystal-npt",
            "tag:staff@noreply.openkim.org,2014-05-21:property/surface-energy-cubic-crystal-npt",
            "tag:staff@noreply.openkim.org,2014-05-21:property/surface-energy-ideal-cubic-crystal"
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        "description": "Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.",
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                "abstract": "Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.",
                "author": "Curtarolo, Stefano and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Yang, Kesong and Taylor, Richard H. and Nelson, Lance J. and Hart, Gus L.W. and Sanvito, Stefano and Buongiorno-Nardelli, Marco and Mingo, Natalio and Levy, Ohad",
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                "journal": "Computational Materials Science",
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                "abstract": "To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it \u2014 all while considering the diversity of users\u2019 experience levels and usage needs. The recently formulated FAIR\u00a0principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow.org, a web ecosystem developed to provide FAIR-compliant access to the AFLOW\u00a0databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow.org\u00a0goes beyond data-access by providing applications to important features of the AFLOW\u00a0software\u00a0[1], assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW\u00a0tutorials and materials science education to a global and diverse audiences will also be presented.",
                "author": "Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano",
                "doi": "https://doi.org/10.1016/j.commatsci.2022.111808",
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                "journal": "Computational Materials Science",
                "keywords": "Autonomous materials science, Materials genome initiative, aflow, Computational ecosystems, Online tools, Database, Ab initio",
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                "recordtype": "article",
                "title": "aflow.org: A web ecosystem of databases, software and tools",
                "url": "https://www.sciencedirect.com/science/article/pii/S0927025622005195",
                "volume": "216",
                "year": "2023"
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            {
                "abstract": "The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets \u2014 facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems.",
                "author": "Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael J. and Smolyanyuk, Andriy and Campilongo, Xiomara and {van de Walle}, Axel and Schroers, Jan and Kusne, A. Gilad and Takeuchi, Ichiro and Zurek, Eva and Nardelli, Marco Buongiorno and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano",
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                "recordtype": "article",
                "title": "aflow++: A {C}++ framework for autonomous materials design",
                "url": "https://www.sciencedirect.com/science/article/pii/S0927025622006000",
                "volume": "217",
                "year": "2023"
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Query Link

https://query.openkim.org/raw?database=obj&query=%7B%22type%22%3A%22td%22%7D&limit=0

Curl

curl --data-urlencode 'database=obj' --data-urlencode 'query={"type":"td"}' --data-urlencode 'limit=0' https://query.openkim.org/api

GET

https://query.openkim.org/api?database=obj&query=%7B%22type%22%3A%22td%22%7D&limit=0

Python

result = requests.post("https://query.openkim.org/api",data={'database': 'obj', 'query': '{"type":"td"}', 'limit': '0'}).json()

d3

d3.json('https://query.openkim.org/api?database=obj&query=%7B%22type%22%3A%22td%22%7D&limit=0')

jQuery

$.post("https://query.openkim.org/api",{"database": "obj", "query": "{\"type\":\"td\"}", "limit": "0"});

pipeline.stdin.tpl

@< query({"database": "obj", "query": {"type": "td"}, "limit": 0}) >@