Supporting Information - "Identifying Potential BO2 Oxide Polymorphs for Epitaxial Growth Candidates"
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资源简介：
Data has been stored as a JSON file and contains information about how every calculation was setup, like the planewave cutoff, exchange correlation functional, <em>k</em>-point grid, etc. It also contains relevant output from the calculation, like total energies, volumes, unit cell parameters, atomic positions, forces, etc. All images from the work have been included in a zipped folder.
创建时间：
2014-09-06
