Beispiel #1
0
def si(with_database):  # pylint: disable=invalid-name
    """Get an NaCl structure"""
    structure = StructureData(ase=bulk('Si', 'diamond', 5.43))
    return structure
Beispiel #2
0
def nacl(with_database):  # pylint: disable=invalid-name
    """Get an NaCl structure"""
    structure = StructureData(ase=bulk('NaCl', 'rocksalt', 4.2))
    return structure