/usr/share/pyshared/ase/test/n2.py is in python-ase 3.6.0.2515-1.
This file is owned by root:root, with mode 0o644.
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1 2 3 4 5 6 7 8 | from ase import Atoms
from ase.calculators.emt import EMT
from ase.optimize import QuasiNewton
n2 = Atoms('N2', positions=[(0, 0, 0), (0, 0, 1.1)],
calculator=EMT())
QuasiNewton(n2).run(0.01)
print n2.get_distance(0, 1), n2.get_potential_energy()
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