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Figure 4
Prediction of the crystal structure of ice at 0 GPa. The lowest energy at each generation is shown relative to the ground state. Each generation contains 30 structures. The ground-state structure ice XI was found at the fourth generation. We also found cubic ice and bct4-like ice in the same calculation.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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