cff-version: 1.2.0
abstract: "<p>Raw data used to generate the structures of the low-OH coverage amorphous silica models. The data set includes the dry structures structures derived from the force-field “melt-and-quench” simulations, the saturated structures with the optimization trajectories calculated on the DFTB level and calculated phonon modes for the selected subset of surfaces. Also, this dataset includes the code used to saturate the surfaces.</p>"
authors:
  - family-names: Klein
    given-names: Mas
    orcid: "https://orcid.org/0009-0003-8245-7919"
  - family-names: Pidko
    given-names: Evgeny
    orcid: "https://orcid.org/0000-0001-9242-9901"
  - family-names: Kolganov
    given-names: Alexander
    orcid: "https://orcid.org/0000-0002-0262-8892"
title: "Data underlying the publication &#34;Ground-up generation of periodic slab models of dehydroxylated amorphous silica of varying roughness&#34;"
keywords:
version: 1
identifiers:
  - type: doi
    value: 10.4121/b8b88018-26a2-41cf-b5cc-10627cb94c05.v1
license: CC BY 4.0
date-released: 2025-07-03