# -------------------------------------------------------------
# Bulk Configuration
# -------------------------------------------------------------

# Set up lattice
vector_a = [3.87406675195, 0.0, 0.0]*Angstrom
vector_b = [0.0, 3.87406675195, 0.0]*Angstrom
vector_c = [0.0, 0.0, 32.9399103335]*Angstrom
lattice = UnitCell(vector_a, vector_b, vector_c)

# Define elements
elements = [Nickel, Silicon, Silicon, Nickel, Silicon, Silicon, Nickel, Silicon,
            Silicon, Nickel, Silicon, Silicon, Nickel, Silicon, Silicon, Nickel,
            Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
            Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon]

# Define coordinates
fractional_coordinates = [[ 0.            ,  0.5           ,  0.041751877231],
                          [ 0.            ,  0.            ,  0.083503754463],
                          [ 0.5           ,  0.5           ,  0.083503754463],
                          [ 0.5           ,  0.            ,  0.125255631694],
                          [ 0.            ,  0.            ,  0.167007508926],
                          [ 0.5           ,  0.5           ,  0.167007508926],
                          [ 0.            ,  0.5           ,  0.208759386157],
                          [ 0.            ,  0.            ,  0.250511263389],
                          [ 0.5           ,  0.5           ,  0.250511263389],
                          [ 0.5           ,  0.            ,  0.29226314062 ],
                          [ 0.            ,  0.            ,  0.334015017852],
                          [ 0.5           ,  0.5           ,  0.334015017852],
                          [ 0.            ,  0.5           ,  0.375766895083],
                          [ 0.            ,  0.            ,  0.417518772314],
                          [ 0.5           ,  0.5           ,  0.417518772314],
                          [ 0.5           ,  0.            ,  0.459270649546],
                          [ 0.            ,  0.            ,  0.501022526777],
                          [ 0.5           ,  0.5           ,  0.501022526777],
                          [ 0.            ,  0.5           ,  0.542603982879],
                          [ 0.5           ,  0.5           ,  0.584185438981],
                          [ 0.5           ,  0.            ,  0.625766895083],
                          [ 0.            ,  0.            ,  0.667348351185],
                          [ 0.            ,  0.5           ,  0.708929807287],
                          [ 0.5           ,  0.5           ,  0.750511263389],
                          [ 0.5           ,  0.            ,  0.79209271949 ],
                          [ 0.            ,  0.            ,  0.833674175593],
                          [ 0.            ,  0.5           ,  0.875255631694],
                          [ 0.5           ,  0.5           ,  0.916837087796],
                          [ 0.5           ,  0.            ,  0.958418543898],
                          [ 0.            ,  0.            ,  1.            ]]

# Set up configuration
bulk_configuration = BulkConfiguration(
    bravais_lattice=lattice,
    elements=elements,
    fractional_coordinates=fractional_coordinates
    )

# Add tags
bulk_configuration.addTags('Left Interface',  [ 0,  1,  2,  3,  4,  5,  6,  7,  8,  9, 10, 11, 12,
                                               13, 14, 15, 16, 17])
bulk_configuration.addTags('Right Interface', [18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29])