2mo
  • POST /materials/structure/relax/post

    Relax a crystal structure and create a post

    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/post';
    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));