[ase-users] Using the spacegroup

[khadija korichi]

Hi all
when I run the following example  it give me this error message
 
File "ss.py", line 23
    tunnel =crystal([('Fe', (0.50000000,   0.25000000,   0.63040434),   magmom=0.0),
                                                                              ^
SyntaxError: invalid
 syntax
**************************************************************

from ase import * 
import numpy as np
from ase.calculators.jacapo import * 
from ase.lattice.cubic import * 
from ase.visualize import view
from ase.lattice.spacegroup import crystal

bo = 0.529177
a =  5.473690*bo
b = 10.947380*bo
c = 69.016108*bo 



tunnel =crystal([('Fe', (0.50000000,   0.25000000,   0.63040434),   magmom=0.0),
                     ('Fe',
 (0.00000000,   0.50000000,   0.67009491),   magmom=0.0),
                     ('Fe', (0.00000000,   0.00000000,   0.67009491),   magmom=0.0),
                     ('Fe', (0.50000000,   0.25000000,   0.70978550),   magmom=0.0),
                     ('Fe', (0.00000000,   0.50000000,   0.74947608),   magmom=0.0),
                     ('Fe', (0.00000000,   0.00000000,   0.74947608),  
 magmom=0.0),
                     ('Fe', (0.50000000,   0.25000000,   0.78916665),   magmom=0.0),
                     ('Fe', (0.00000000,   0.50000000,   0.82749999),   magmom=0.0),
                     ('Fe', (0.00000000,   0.00000000,   0.82749999),   magmom=0.0),
                     ('Mg', (0.50000000,   0.25000000,   0.88773809),  
 magmom=0.0),
                     ('O ', (0.00000000,   0.50000000,   0.88773809),   magmom=0.0),
                     ('O ', (0.00000000,   0.00000000,   0.88773809),   magmom=0.0),
                     ('O ', (0.50000000,   0.25000000,   0.94386905),   magmom=0.0),
                     ('Mg', (0.00000000,   0.50000000,   0.94386905),  
 magmom=0.0),
                     ('Mg', (0.00000000,   0.00000000,   0.94386905),   magmom=0.0),
                     ('Mg', (0.50000000,   0.25000000,   0.00000000),   magmom=0.0),
                     ('O ', (0.00000000,   0.00000000,   0.00000000),   magmom=0.0),
                spacegroup=47, cellpar=[a, b, c, 90, 90, 90])
view(tunnel)
******************************************************************
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