Cell can't be Niggli reduced
>>> from ase import Atoms
>>> from ase.build import niggli_reduce
>>> a = Atoms(cell=[[5.25030200e+00, -5.00000000e-06, 0.00000000e+00],
... [-2.62515500e+00, 4.54689100e+00, 0.00000000e+00],
... [-1.00000000e-06, 0.00000000e+00, 8.69849500e+00]],
... pbc=True)
>>> print(a.get_cell_lengths_and_angles())
[ 5.250302 5.25030061 8.698495 89.99999671 90.00000659
120.0001137 ]
>>> niggli_reduce(a)
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "/home/jensj/ase/ase/build/tools.py", line 612, in niggli_reduce
new_cell, C = niggli_reduce_cell(atoms.cell)
File "/home/jensj/ase/ase/build/tools.py", line 540, in niggli_reduce_cell
raise RuntimeError('p unassigned and i*j*k < 0!')
RuntimeError: p unassigned and i*j*k < 0!
Worked OK in 3.14.1.