/materials/structure/relax/animation
Relax a crystal structure with animation
Range: 0 to 1
Force convergence (eV/Å)
Range: 1 to 1000
Maximum optimization steps
Range: 10 to 500
Maximum number of frames to include in animation
low
medium
high
Video resolution quality
Range: 5 to 60
Frames per second for animation
Whether to optimize cell parameters using FrechetCellFilter
const url = 'https://api.ouro.foundation/routes/mmoderwell/materials/structure/relax/animation';
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,
"max_frames": 100,
"resolution": "medium",
"animation_fps": 20,
"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));
Most tutorials you find out there will show just atom position optimization. Depending on where you got your input CIF, this is likely wrong. Let's look at an example from my new crystal generation AP
Route views over time