from ase import Atom carbon = Atom('C', (0, 0, 0))
from ase import Atoms from ase.calculators.emt import EMT atoms = Atoms([Atom('C', (0, 0, 0)), Atom('O', (1, 1, 1))]) atoms.set_calculator(EMT()) distance = atoms.get_distance(0, 1)This code creates an Atoms object for a carbon atom and an oxygen atom with positions (0, 0, 0) and (1, 1, 1), respectively. It sets the EMT (Embedded Atom Method) calculator as the calculator for the Atoms object. Finally, it calculates the distance between the two atoms using the get_distance method. Package Library: ASE is an open-source package library for performing atomistic simulations of materials.