
# -------------------------------------------------------------
# Electrodes
# -------------------------------------------------------------
# Set up lattice
vector_a = [9.0, 0.0, 0.0]*Angstrom
vector_b = [0.0, 9.0, 0.0]*Angstrom
vector_c = [0.0, 0.0, 10.16]*Angstrom
left_electrode_lattice = UnitCell(vector_a, vector_b, vector_c)
# Define elements
left_electrode_elements = [Gold, Gold, Gold, Gold]
# Define coordinates
left_electrode_coordinates = [[ 5.  ,  5.  ,  1.27],
                              [ 5.  ,  5.  ,  3.81],
                              [ 5.  ,  5.  ,  6.35],
                              [ 5.  ,  5.  ,  8.89]]*Angstrom
# Set up configuration
left_electrode = BulkConfiguration(
    bravais_lattice=left_electrode_lattice,
    elements=left_electrode_elements,
    cartesian_coordinates=left_electrode_coordinates
    )
right_electrode = left_electrode
# -------------------------------------------------------------
# Central region
# -------------------------------------------------------------
# Set up lattice
vector_a = [9.0, 0.0, 0.0]*Angstrom
vector_b = [0.0, 9.0, 0.0]*Angstrom
vector_c = [0.0, 0.0, 32.86]*Angstrom
central_region_lattice = UnitCell(vector_a, vector_b, vector_c)
# Define elements
central_region_elements = [Gold, Gold, Gold, Gold, Gold, Gold, Hydrogen, Hydrogen, Gold,
                           Gold, Gold, Gold, Gold, Gold]
# Define coordinates
central_region_coordinates = [[  5.            ,   5.            ,   1.270],
                              [  5.            ,   5.            ,   3.810],
                              [  5.            ,   5.            ,   6.350],
                              [  5.            ,   5.            ,   8.890],
                              [  5.            ,   5.            ,  11.430],
                              [  5.005         ,   5.005         ,  14.102],
                              [  5.            ,   5.            ,  15.972],
                              [  5.            ,   5.            ,  16.888],
                              [  5.005         ,   5.005         ,  18.758],
                              [  5.            ,   5.            ,  21.430],
                              [  5.            ,   5.            ,  23.970],
                              [  5.            ,   5.            ,  26.510],
                              [  5.            ,   5.            ,  29.050],
                              [  5.            ,   5.            ,  31.590]]*Angstrom
# Set up configuration
central_region = BulkConfiguration(
    bravais_lattice=central_region_lattice,
    elements=central_region_elements,
    cartesian_coordinates=central_region_coordinates
    )
device_configuration = DeviceConfiguration(
    central_region,
    [left_electrode, right_electrode]
    )
