/materials/structure/relax/post
Relax a crystal structure and create a post
Range: 0 to 1
Force convergence (eV/Å)
Range: 1 to 1000
Maximum optimization steps
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));
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