遇见数据集

Reaction paths of alane dissociation: VASP CONTCAR

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Figshare2017-11-22 更新2026-04-29 收录
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Zipped sets of 6 intermediate images output from converged VASP climbing-image calculation, in CONTCAR format. Zip filename identifies start and end configurations which can be found in the "Alane adsorption on Si(100): VASP CONTCAR" filesets.

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2017-11-22
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