# -*- coding: utf-8 -*-
# -------------------------------------------------------------
# Bulk Configuration
# -------------------------------------------------------------

# Set up lattice
vector_a = [42.0653478977, 0.384780791721, 0.165878236778]*Angstrom
vector_b = [0.384780791721, 41.7095039431, -0.114400290322]*Angstrom
vector_c = [0.165878236778, -0.114400290322, 42.3629428809]*Angstrom
lattice = UnitCell(vector_a, vector_b, vector_c)

# Define elements
elements = [Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur, Sulfur,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium,
            Lithium, Lithium, Lithium, Lithium, Lithium, Lithium, Lithium]

# Define coordinates
fractional_coordinates = [[ 0.800453730555,  0.873668246544,  0.773450143081],
                          [ 0.796535429274,  0.506920661579,  0.55386449027 ],
                          [ 0.05835629847 ,  0.449296273856,  0.100655533734],
                          [ 0.328934193131,  0.615106567507,  0.019394489506],
                          [ 0.087981374767,  0.09237131785 ,  0.41914465395 ],
                          [ 0.737621520175,  0.019926599432,  0.20388055821 ],
                          [ 0.330491487613,  0.537013983475,  0.298833263648],
                          [ 0.335433547161,  0.878614665878,  0.263400081489],
                          [ 0.597347056262,  0.835899189732,  0.264750495193],
                          [ 0.555681734641,  0.349737919712,  0.335745128652],
                          [ 0.672898725541,  0.929212769829,  0.293739018224],
                          [ 0.980978026994,  0.651069571839,  0.263731782696],
                          [ 0.520826177934,  0.197279621882,  0.371075144219],
                          [ 0.120080550457,  0.7470981479  ,  0.107194211059],
                          [ 0.467704113209,  0.955915533785,  0.539023111651],
                          [ 0.512751089639,  0.700834061549,  0.024692068283],
                          [ 0.771532895016,  0.370688985576,  0.728483927899],
                          [ 0.35549441887 ,  0.865829996089,  0.175711665581],
                          [ 0.300471573744,  0.534152626789,  0.02774516196 ],
                          [ 0.952606292522,  0.215212899855,  0.704387115586],
                          [ 0.947532424276,  0.535157451857,  0.211212344417],
                          [ 0.781869234895,  0.192501477239,  0.221691229384],
                          [ 0.668499223673,  0.314112504019,  0.205090199605],
                          [ 0.053326757334,  0.199136441738,  0.411776661157],
                          [ 0.193643446646,  0.201856272929,  0.703627725728],
                          [ 0.787321112915,  0.307257208476,  0.474623448862],
                          [ 0.831427350498,  0.428541589735,  0.002115873776],
                          [ 0.18795037695 ,  0.974467954135,  0.922569281821],
                          [ 0.549284986227,  0.686199272812,  0.513639986148],
                          [ 0.163856164337,  0.343836041231,  0.373030750892],
                          [ 0.619735321751,  0.137945235547,  0.800024792313],
                          [ 0.746771564337,  0.60246233333 ,  0.44599979959 ],
                          [ 0.372945566539,  0.282259453399,  0.937611520398],
                          [ 0.865026936308,  0.139151643188,  0.821078379642],
                          [ 0.032137111335,  0.669245034113,  0.99921107907 ],
                          [ 0.021810027469,  0.897823131971,  0.665885464195],
                          [ 0.377945981335,  0.055538647896,  0.886060403269],
                          [ 0.956535607699,  0.457016575366,  0.759093871579],
                          [ 0.942489702467,  0.263358375291,  0.446193222265],
                          [ 0.683685254522,  0.29440644942 ,  0.630658602266],
                          [ 0.645522569603,  0.536390334805,  0.792641436823],
                          [ 0.469958093365,  0.98532583123 ,  0.426498461311],
                          [ 0.523653043407,  0.819214616375,  0.732091255748],
                          [ 0.69146214247 ,  0.089467369795,  0.594318835268],
                          [ 0.103266928194,  0.304898196058,  0.648766412249],
                          [ 0.956914573533,  0.800589655567,  0.672194108065],
                          [ 0.714464452   ,  0.617582429771,  0.363417026232],
                          [ 0.39879573844 ,  0.651813589404,  0.106840602221],
                          [ 0.096267276099,  0.420992913469,  0.393396916012],
                          [ 0.051818492035,  0.679033208973,  0.709173741382],
                          [ 0.472749885014,  0.64587503134 ,  0.91426280649 ],
                          [ 0.742417536016,  0.088844831892,  0.61649647863 ],
                          [ 0.205866897712,  0.033716754121,  0.307404446411],
                          [ 0.798484289038,  0.907974477561,  0.916506425118],
                          [ 0.452682585581,  0.45898445599 ,  0.252664553077],
                          [ 0.515221104553,  0.62321255198 ,  0.890072969944],
                          [ 0.22523776671 ,  0.785799731988,  0.37309740489 ],
                          [ 0.260026394857,  0.175440449023,  0.615875909294],
                          [ 0.815452394367,  0.367387156036,  0.378907084475],
                          [ 0.065703129141,  0.445636340798,  0.631872348723],
                          [ 0.475067514315,  0.611516325803,  0.107277787341],
                          [ 0.664162199294,  0.486681959527,  0.570178837428],
                          [ 0.799222381319,  0.074065247479,  0.080271781437],
                          [ 0.726442381326,  0.410129295542,  0.539467803819],
                          [ 0.519192975246,  0.482414709033,  0.317463041657],
                          [ 0.741332716542,  0.239431608011,  0.883209746575],
                          [ 0.53454886524 ,  0.523635649209,  0.281914792305],
                          [ 0.376845306213,  0.754675055877,  0.914968135713],
                          [ 0.236443664643,  0.700924197676,  0.528677101042],
                          [ 0.579368375435,  0.416925382405,  0.658618144858],
                          [ 0.574166446722,  0.948488308081,  0.631244825974],
                          [ 0.359424059503,  0.575538732522,  0.376917661775],
                          [ 0.036052376028,  0.288875457587,  0.422721461047],
                          [ 0.029682462254,  0.722049412559,  0.086317592125],
                          [ 0.907810222879,  0.988907700765,  0.772624722909],
                          [ 0.049043233008,  0.31253817259 ,  0.558752144533],
                          [ 0.544437056279,  0.756037342531,  0.666855913609],
                          [ 0.976042953697,  0.605761121195,  0.432438270401],
                          [ 0.64014431762 ,  0.067909655562,  0.207579650887],
                          [ 0.960559482388,  0.878641247917,  0.152532849142],
                          [ 0.423518365059,  0.984082709483,  0.836487008113],
                          [ 0.389541944383,  0.905196349128,  0.027359210159],
                          [ 0.445849621555,  0.315604960806,  0.907155308354],
                          [ 0.586281488847,  0.120259733812,  0.549151404644],
                          [ 0.381696502674,  0.809063431589,  0.732483361685],
                          [ 0.812510251122,  0.238079599128,  0.771410223363],
                          [ 0.17051700515 ,  0.861829485615,  0.280557432281],
                          [ 0.434256525677,  0.584201523577,  0.959496943266],
                          [ 0.479224134712,  0.37895344156 ,  0.849607563652],
                          [ 0.543756096649,  0.321021577992,  0.836729202476],
                          [ 0.294771652121,  0.489453962284,  0.401487502135],
                          [ 0.227952216741,  0.385475184264,  0.919492586533],
                          [ 0.950499891546,  0.984129242838,  0.481800400656],
                          [ 0.617862126789,  0.171989066094,  0.993595381292],
                          [ 0.893883398924,  0.029542628117,  0.444025883289],
                          [ 0.859039964043,  0.210070745352,  0.770529021099],
                          [ 0.698925361239,  0.320467666963,  0.815661245869],
                          [ 0.164935994621,  0.259708254892,  0.243277987736],
                          [ 0.3188169348  ,  0.744523366761,  0.454249476841],
                          [ 0.839477055605,  0.387583011012,  0.595153637292],
                          [ 0.480155575518,  0.571419225959,  0.988422232976],
                          [ 0.805196290329,  0.176266312779,  0.52248724936 ],
                          [ 0.824877910729,  0.185415605341,  0.073402553265],
                          [ 0.155580426598,  0.530438749704,  0.846709792034],
                          [ 0.679121485659,  0.822892349268,  0.372631801535],
                          [ 0.022699874389,  0.819921458078,  0.943365654556],
                          [ 0.5579097811  ,  0.736559624149,  0.588606390499],
                          [ 0.038145957729,  0.229033525965,  0.722047022784],
                          [ 0.225527115911,  0.532464564215,  0.777468993734],
                          [ 0.722498554202,  0.791463953789,  0.545598201223],
                          [ 0.41007590648 ,  0.225406547865,  0.67218503148 ],
                          [ 0.095419459165,  0.529753876901,  0.435279386908],
                          [ 0.472541334625,  0.107521451913,  0.95704456519 ],
                          [ 0.774027512103,  0.072578290673,  0.704659886282],
                          [ 0.131809671563,  0.646183231171,  0.080132257285],
                          [ 0.448088979795,  0.792470579847,  0.867200709829],
                          [ 0.400714990085,  0.024219935339,  0.764469926456],
                          [ 0.990755021166,  0.236240164415,  0.357199274052],
                          [ 0.107333882133,  0.192078027595,  0.007068406791],
                          [ 0.184917361822,  0.661470379839,  0.884138048595],
                          [ 0.872312467155,  0.832232930201,  0.534707572064],
                          [ 0.410353565185,  0.761201981896,  0.74285929951 ],
                          [ 0.29650793674 ,  0.150472217572,  0.579669010531],
                          [ 0.217089971565,  0.004821363514,  0.188264021188],
                          [ 0.825144115598,  0.11906319553 ,  0.587575831204],
                          [ 0.442684964796,  0.198375066247,  0.35947463362 ],
                          [ 0.974026542362,  0.223705090562,  0.956246601544],
                          [ 0.115365927015,  0.317681753265,  0.122909680068],
                          [ 0.300610011666,  0.457550504693,  0.499966534869],
                          [ 0.361850803914,  0.197700987096,  0.052911283259],
                          [ 0.737595065378,  0.961498994326,  0.065842468023],
                          [ 0.113339556466,  0.684535565124,  0.552637177448],
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                          [ 0.805060690968,  0.011038804246,  0.070976739518],
                          [ 0.354094153434,  0.672916497734,  0.58805492536 ],
                          [ 0.446437519748,  0.178609185263,  0.580932485952],
                          [ 0.063356683274,  0.895292706591,  0.844877741264],
                          [ 0.434520763566,  0.86530128834 ,  0.628726617666],
                          [ 0.087702693486,  0.911152971164,  0.132636009061],
                          [ 0.737873850802,  0.208514835448,  0.332364609502],
                          [ 0.614533356428,  0.209463711317,  0.925495739723],
                          [ 0.437205476008,  0.789627989372,  0.552981788096],
                          [ 0.013390612752,  0.872676550823,  0.254914914412],
                          [ 0.626809747239,  0.514341075317,  0.149534021544],
                          [ 0.156962920451,  0.209516625172,  0.82470388619 ],
                          [ 0.199464411411,  0.11769083596 ,  0.113983080889],
                          [ 0.926054203965,  0.562595615244,  0.006409716455],
                          [ 0.161752813635,  0.127430122453,  0.043109127198],
                          [ 0.50997268546 ,  0.702321866157,  0.580029246155],
                          [ 0.475892302175,  0.913789860631,  0.807729836083],
                          [ 0.714686549924,  0.844026261365,  0.60702161679 ],
                          [ 0.228755448954,  0.316739990148,  0.448431718626],
                          [ 0.101505809196,  0.643473965467,  0.27437460402 ],
                          [ 0.74916512461 ,  0.354761765957,  0.537952470851],
                          [ 0.764846743862,  0.501274026269,  0.889921814747],
                          [ 0.735958853095,  0.276655074049,  0.139273058285],
                          [ 0.097008696644,  0.44360111776 ,  0.926157051957],
                          [ 0.466881872993,  0.798749125602,  0.471669493861],
                          [ 0.179684893697,  0.217536680875,  0.175644847774],
                          [ 0.820530076392,  0.707728225158,  0.450319791884],
                          [ 0.700720170908,  0.279461524889,  0.232779969036],
                          [ 0.159063276381,  0.068190023476,  0.5906109749  ],
                          [ 0.721420153631,  0.810386985091,  0.772689536941],
                          [ 0.541888809696,  0.111751316306,  0.468238648651],
                          [ 0.473080321462,  0.768175528313,  0.135884812184],
                          [ 0.032080317111,  0.356716833199,  0.218659579749],
                          [ 0.023072854041,  0.416365162479,  0.611916753389],
                          [ 0.164562957845,  0.701026315594,  0.578647525721],
                          [ 0.635837646157,  0.68903946108 ,  0.70652924555 ],
                          [ 0.55432596668 ,  0.318133000768,  0.251467256189],
                          [ 0.137292841928,  0.433104781755,  0.691876526872],
                          [ 0.229884040076,  0.396099913598,  0.832032316063],
                          [ 0.262021962854,  0.52092518276 ,  0.069577000995],
                          [ 0.382795916399,  0.601541446827,  0.605017382199],
                          [ 0.755080674725,  0.491431010568,  0.253934321176],
                          [ 0.236063636338,  0.162373460179,  0.890689229077],
                          [ 0.299889081047,  0.232969823782,  0.361036816881],
                          [ 0.215520539598,  0.344687185441,  0.235425960579],
                          [ 0.238536714205,  0.65306515433 ,  0.310148806773],
                          [ 0.662335960635,  0.797225901992,  0.522010093852],
                          [ 0.630272459457,  0.900876629756,  0.193913313939],
                          [ 0.713596700118,  0.755204010073, -0.039151394767],
                          [ 0.21121276548 ,  0.20007382509 ,  0.368317500196],
                          [ 0.027551463392,  0.23062116916 ,  0.667048499287],
                          [ 0.041717937815,  0.24802213245 ,  0.197376714982],
                          [ 0.574050291268,  0.363406225995,  0.874216285809],
                          [ 0.838540245512,  0.924480962555,  0.717310555141],
                          [ 0.562846870093,  0.908888934986,  0.450831470939],
                          [ 0.19025814509 ,  0.799998043374,  0.512053833304],
                          [ 0.323150290547,  0.38243657722 ,  0.578726459483],
                          [ 0.271831111497,  0.085425448191,  0.156714868539],
                          [ 1.016456837265,  0.735417459213,  0.269778283289],
                          [ 0.42931623192 ,  0.427176250537,  0.448334922654],
                          [ 0.267409628443,  0.98349323725 ,  0.464559020068],
                          [ 0.141825323714,  0.88714304598 ,  0.86774349089 ],
                          [ 0.594795258025,  0.366971192648,  0.144393968571],
                          [ 0.562132739265,  0.892705047921,  0.367030642855],
                          [ 0.77793702629 ,  0.549386194141,  0.392113083957],
                          [ 0.811700319009,  0.122052902043,  0.644560474094],
                          [ 0.903320723689,  0.500469284863,  0.235549335116],
                          [ 0.923986526824,  0.694643002595,  0.16118215928 ],
                          [ 0.718819647276,  0.243055043936,  0.806484726698],
                          [ 0.694829142288,  0.950740588631,  0.150123653006],
                          [ 0.354483903078,  0.543505937162,  0.421813427197],
                          [ 0.062014232468,  0.533158261993,  0.618831763053],
                          [ 0.138671831533,  0.446181588599,  0.096320821699],
                          [ 0.750632302295,  0.583651130529,  0.227602665418],
                          [ 0.240381684219,  0.572834740809,  0.518959284918],
                          [ 0.019421723377,  0.687155669971,  0.612873543436],
                          [ 0.026375742531,  0.615166751691,  0.263539000455],
                          [ 0.159922631936,  0.757216069747,  0.038246887339],
                          [ 0.772644350296,  0.389025282452,  0.236722301842],
                          [ 0.373512829811,  0.875867345544,  0.447323339942],
                          [ 0.333300731914,  0.585427669953,  0.664045230746],
                          [ 0.136135881803,  0.324765038676,  0.075565720885],
                          [ 0.803553084583,  0.044289178935,  0.923332615504],
                          [ 0.858874850208,  0.494631785856,  0.449803917736],
                          [ 0.836405712512,  0.639405224689,  0.57507099412 ],
                          [ 0.501882855151,  0.674217207348,  0.302984489742],
                          [ 0.504612034605,  0.784636055674,  0.866830686351],
                          [ 0.275298511774,  0.462711423238,  0.670245898537],
                          [ 0.122878244368,  0.443874356056,  0.241487331682],
                          [ 0.640284961266,  0.315459633045,  0.56382787824 ],
                          [ 0.765765389874,  0.10271688412 ,  0.786330851134],
                          [ 0.455101945514,  0.594314374847,  0.651020849968],
                          [ 0.024973132195,  0.056326102394,  0.252767039592],
                          [ 0.45532469056 ,  0.641822212371,  0.242323514376],
                          [ 0.452899966215,  0.523211992509,  0.150778119243],
                          [ 0.29971101864 ,  0.832956374243,  0.789722537088],
                          [ 0.259454341923,  0.966832921387,  0.216653271509],
                          [ 0.050057457294,  0.130282516236,  0.411560043   ],
                          [ 0.878976842878,  0.714295984013,  0.744049333495],
                          [ 0.084092464855,  0.651849804226,  0.97977791078 ],
                          [ 0.356592364772,  0.063508014997,  0.571458078848],
                          [ 0.897116201765,  0.144817130816,  0.37694138704 ],
                          [ 0.886332353842,  0.367401474117,  0.839529333931],
                          [ 0.445422182542,  0.135490413763,  0.194279011884],
                          [ 0.13106948318 ,  0.174352271547,  0.516914081747],
                          [ 0.821990423601,  0.729683718101,  0.580340127999],
                          [ 0.500785701489,  0.383642414653,  0.796720682527],
                          [ 0.365677857762,  0.145758415311,  0.446544434281],
                          [ 0.695782111589,  0.159306348968,  0.791582620058],
                          [ 0.453626549991,  0.517825847412,  0.31629740532 ],
                          [ 0.872961862839,  0.880284101929,  0.926702596633],
                          [ 0.107415487008,  0.726828274227,  0.236369583231],
                          [ 0.022743659858,  0.214646895735,  0.772976365461],
                          [ 0.670767587882,  0.165042821839,  0.966652448675],
                          [ 0.465790171152,  0.816403164336,  0.733358089573],
                          [ 0.492693987645,  0.282067230908,  0.122967021364],
                          [ 0.66436838591 ,  0.38168149656 ,  0.263927680561],
                          [ 0.330386116524,  0.49584993055 ,  0.480219886713],
                          [ 0.076676695043,  0.344704876085,  0.860767831984],
                          [ 0.708381718094,  0.562163842614,  0.347586634278],
                          [ 0.525436583572,  0.911434716379,  0.130101311601],
                          [ 0.095595078941,  0.365257173257,  0.517065348199],
                          [ 0.059352462261,  0.742829318433,  0.161120064502],
                          [ 0.620271390339,  0.152706571201,  0.520214918363],
                          [ 0.763185184603,  0.899546364692,  0.361999592823],
                          [ 0.92382482725 ,  0.592750842767,  0.162307059685],
                          [ 0.31292537101 ,  0.705627919897,  0.52480031    ],
                          [ 0.4121020906  ,  0.911827600395,  0.301700635782],
                          [ 0.887913397279,  0.575233964135,  0.238637092428],
                          [ 0.014838442868,  0.931513165637,  0.130640734378],
                          [ 0.496382997758,  0.015118105199,  0.357557620527],
                          [ 0.079261308284,  0.333446518331,  0.778084557736],
                          [ 0.923112532238,  0.658882402316,  0.450086115251],
                          [ 0.572313620747,  0.83634519137 ,  0.891905204541],
                          [ 0.851897796378,  0.843127664875,  0.859585658934],
                          [ 0.026967212247,  0.926896923622,  0.607993005771],
                          [ 0.136649643088,  0.175695340517,  0.64070257688 ],
                          [ 0.946764953089,  0.682241232206,  0.893689472673],
                          [ 0.162563675402,  0.938558448234,  0.705256967131],
                          [ 0.720155275692,  0.739122789695,  0.871590395083],
                          [ 0.244411575731,  0.039743456373,  0.21992218036 ],
                          [ 0.334260612133,  0.954084903088,  0.565388872777],
                          [ 0.749808779418,  0.747837950165,  0.105423465245],
                          [ 0.184654400631,  0.108433955479,  0.508918252154]]

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

# -------------------------------------------------------------
# Calculator
# -------------------------------------------------------------

potentialSet = ReaxFF_LiS_2015(strict_bondpairs = None)
calculator = TremoloXCalculator(parameters=potentialSet)
calculator.setVerletListsDelta(0.25*Angstrom)

bulk_configuration.setCalculator(calculator)
nlprint(bulk_configuration)
bulk_configuration.update()
nlsave('Li04S_eq-1600K.hdf5', bulk_configuration)

# -------------------------------------------------------------
# Molecular Dynamics
# -------------------------------------------------------------

initial_velocity = MaxwellBoltzmannDistribution(
    temperature=1600.0*Kelvin,
    remove_center_of_mass_momentum=True
)

method = NPTBerendsen(
    time_step=1*femtoSecond,
    reservoir_temperature=1600*Kelvin,
    reservoir_pressure=1*bar,
    thermostat_timescale=100*femtoSecond,
    barostat_timescale=500*femtoSecond,
    initial_velocity=initial_velocity,
    compressibility=0.0001*bar**-1,
    heating_rate=0*Kelvin/picoSecond,
)

md_trajectory = MolecularDynamics(
    bulk_configuration,
    constraints=[],
    trajectory_filename=None,
    steps=50000,
    log_interval=1000,
    method=method
)

bulk_configuration = md_trajectory.lastImage()
nlsave('Li04S_eq-1600K.hdf5', md_trajectory)