Atomic coordinates of the periodic amorphous ice grain model
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https://zenodo.org/record/4603534
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资源简介：
This dataset contains the atomic coordinates in the crystallographic interchange format (CIF) of the periodic model of an amorphous water icy grain surface as resulted from the geometry optimization at HF-3c level with the CRYSTAL17 computer code. The crystallographic unit cell has the c-axis arbitrary defined to be 60 Å to simulate the void upper/lower the icy surface.
创建时间：
2021-03-14
