From the NovoMag database.
Testing because of high error in MAE calculation between NovoMag theoretical and experimental.
Experimental: 0.7 MJ/m3
NovoMag theoretical: 0.3 MJ/m3
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# Delete a file (requires admin permission)
ouro.files.delete(id=file_id)# Get signed URL to download the file
file_data = file.read_data()
print(file_data.url)
# Download the file using requests
import requests
response = requests.get(file_data.url)
with open('downloaded_file', 'wb') as output_file:
output_file.write(response.content)# Update file metadata
updated = ouro.files.update(
id=file_id,
name="Updated file name",
description="Updated description",
visibility="private"
)
# Update file data with a new file
updated = ouro.files.update(
id=file_id,
file_path="./new_file.txt"
)import os
from ouro import Ouro
# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
file_id = "5006696e-ed56-4a5e-9ae6-4f915bf0f8eb"
# Retrieve file metadata
file = ouro.files.retrieve(file_id)
print(file.name, file.visibility)
print(file.metadata)Experimental: 0.7 MJ/m3
NovoMag theoretical: 0.3 MJ/m3
Our theoretical: 0.447 MJ/m3
{ "kmesh": [ 16, 16, 11 ], "mae_ev": 0.00006288498852530765, "method": "tb2j", "status": "success", "n_atoms": 2, "easy_axis": "001", "hard_axis": "010", "tb2j_scf_dir": "/data/calculations/8e3c3c10-fa40-4d1f-8882-b62ff676dd63/tb2j_scf_soc0", "mae_mj_per_m3": 0.4477554003357504, "tb2j_energies": { "100": -0.008477644142620621, "001": -0.008540529131145901, "010": -0.008477644142620594 }, "tb2j_nscf_dir": "/data/calculations/8e3c3c10-fa40-4d1f-8882-b62ff676dd63/tb2j_nscf_soc1", "calculation_id": "8e3c3c10-fa40-4d1f-8882-b62ff676dd63", "input_parameters": { "method": "tb2j", "pp_dir": "/data/data/orbitals/Dojo-NC-FR/Pseudopotential", "ecutwfc": 65, "scf_thr": 0.000001, "kspacing": 0.16, "scf_nmax": 100, "basis_dir": "/data/data/orbitals/Dojo-NC-FR", "calculation_id": "8e3c3c10-fa40-4d1f-8882-b62ff676dd63", "smearing_sigma": 0.05, "smearing_method": "mp" }, "mae_mev_per_atom": 0.031442494262653824, "volume_angstrom3": 22.501763053903147, "magnetic_hardness_kappa": 0.4468633335452183, "calculation_time_seconds": 531.6125068664551, "total_magnetic_moment_uB": 3.24108, "saturation_magnetization_A_per_m": 1335797.9212273194 }