GEPA-iteration-3-v02.cif - relaxed 1 · Files on Ouro
2mo
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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 = "80c807d0-43ce-4d96-ba99-00528baf3ac0"# 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-3-v02.cif - relaxed 1
1.96 KB
.cif file
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Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.9890 eV; energy change = -3.1133 eV; symmetry: P1 → P1