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src/p/y/python-ase-3.8.1/ase/test/vacancy.py   python-ase(Download)
 
    for a in images:
        print a.positions[0], a.get_potential_energy()
 
    dyn = MDMin(neb, dt=0.1, trajectory='mep1.traj')
    #dyn = QuasiNewton(neb)
    print dyn.run(fmax=0.01, steps=25)
    for a in images:
        print a.positions[0], a.get_potential_energy()