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4mo

  • POST /materials/structure/relax

    Relax a crystal structure

    Parameters

    ouro-route-id

    in header

    ouro-route-org-id

    in header

    ouro-route-team-id

    in header

    ouro-action-id

    in header

    Request body

    file

    objectRequired

    id

    url

    stringRequired

    name

    type

    stringRequired

    org_id

    stringRequired

    team_id

    stringRequired

    filename

    stringRequired

    visibility

    stringRequired

    description

    fmax

    numberDefaults to 0.03

    Range: 0 to 1

    Force convergence (eV/Å)

    max_steps

    integerDefaults to 400

    Range: 1 to 1000

    Maximum optimization steps

    optimize_cell

    booleanDefaults to true

    Whether to optimize cell parameters using FrechetCellFilter

    const url = 'https://api.ouro.foundation/routes/mmoderwell/materials/structure/relax';
const options = {
  method: 'POST',
  headers: {
    'Authorization': 'ApiKey {your-ouro-api-key}',
    'Content-Type': 'application/json'
  }
};
 
const payload = {
  "file": {
    "url": "example_string",
    "type": "example_string",
    "org_id": "example_string",
    "team_id": "example_string",
    "filename": "example_string",
    "visibility": "example_string"
  },
  "fmax": 0.03,
  "max_steps": 400,
  "optimize_cell": true
};
options.body = JSON.stringify(payload);
 
fetch(url, options)
  .then(response => response.json())
  .then(data => console.log(data))
  .catch(error => console.error('Error:', error));