Update README.md

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species_Z={74 1} the order for this parameter is defined by the xyz file.
Details can be found here:
F. J. Dominguez-Gutierrez and U. von Toussaint
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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