example

from wulffpack import (SingleCrystal,
                       Decahedron,
                       Icosahedron)
from ase.build import bulk
from ase import Atoms
from ase.io import read,write
from ase.visualize import view

Li4Fe4S4O20H4=read('ortho_FeSO4OH_Ref.vasp')

print(Li4Fe4S4O20H4)

surface_energies = {(1, 0, 0): 1.194,
                    (0, 0, 1): 0.693,
                    (0, 1, 1): 1.143,
                    (0, 2, 0): 0.682,
                    (1, 1, 1): 1.188,
                    (1, 0, 1): 1.736,
                    (2, 0, 1): 1.145}

colors = {(1, 0, 0): '#FFE1FF',
          (0, 0, 1): '#0053b5',
          (0, 1, 1): '#f6faf5',
          (0, 2, 0): '#2E8B57',
          (1, 1, 1): '#A0522D',
          (1, 0, 1): '#00008B',
          (2, 0, 1): '#AAAAAA'}

particle = SingleCrystal(surface_energies, primitive_structure=Li4Fe4S4O20H4, natoms=8000)

particle.view(colors=colors)