File: atoms.py

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python-ase 3.26.0-3
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# creates: Au-wire.png

from ase import Atoms
from ase.io import write

d = 2.9
L = 10.0
wire = Atoms('Au', positions=[(0, L / 2, L / 2)], cell=(d, L, L), pbc=(1, 0, 0))
wire *= (6, 1, 1)
wire.positions[:, 0] -= 2 * d
wire.cell[0, 0] = d
# view(wire, block=1)
write(
    'Au-wire.pov',
    wire,
    rotation='12x,6y',
    povray_settings=dict(transparent=False),
).render()