Update README.txt

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we consider that W = 74 and H = 1. The order of these number needs to be we consider that W = 74 and H = 1. The order of these number needs to be
defined according to the list of atoms defined in the xyz file. defined according to the list of atoms defined in the xyz file.
n_species=2 this is the number of species in the material n_species=2 this is the number of species in the material
species_Z={74 1} the order for this parameter is defined by the xyz file. species_Z={74 1} the order for this parameter is defined by the xyz file.
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Details can be found here:
F. J. Dominguez-Gutierrez and U. von Toussaint
On the detection and classification of material defects in crystalline solids after energetic particle impact simulations
Journal of Nuclear Materials 528, 151833 (2020).
https://doi.org/10.1016/j.jnucmat.2019.151833
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