GEPA-iteration-34-v02.cif - relaxed · Files on Ouro
2mo
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python
import osfrom 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 = "da49b3d1-15fa-4111-bdc5-ce555fa3573d"# Retrieve file metadata and signed URLf = ouro.files.retrieve(file_id)print(f.name, f.visibility)data = f.read_data() # fetches signed URLprint(data.url)
GEPA-iteration-34-v02.cif - relaxed
1.29 KB
.cif file
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Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -84.3100 eV; energy change = -1.2422 eV; symmetry: P1 → P1