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With use of a Lagrangian which allows for the variation of the shape and size of the periodically repeating molecular-dynamics cell, it is shown that different pair potentials lead to different crystal structures.
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Michele Parrinello
A. Rahman
Physical Review Letters
Argonne National Laboratory
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Parrinello et al. (Mon,) studied this question.
www.synapsesocial.com/papers/69d7b5a70a5b166600f3079d — DOI: https://doi.org/10.1103/physrevlett.45.1196