<codeBook xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xsi:schemaLocation="ddi:codebook:2_5 http://www.ddialliance.org/Specification/DDI-Codebook/2.5/XMLSchema/codebook.xsd" xmlns="ddi:codebook:2_5">
  <docDscr>
    <citation>
      <titlStmt>
        <titl xml:lang="sv"></titl>
        <parTitl xml:lang="en">Data and code for "Revealing the free energy landscape of halide perovskites: Metastability and transition characters in CsPbBr3 and MAPbI3"</parTitl>
        <IDNo agency="SND">doi-10-5281-zenodo-8309963-0</IDNo>
        <IDNo agency="DOI">https://doi.org/10.5281/zenodo.8309963</IDNo>
      </titlStmt>
      <prodStmt>
        <producer xml:lang="en" abbr="SND">Swedish National Data Service</producer>
        <producer xml:lang="sv" abbr="SND">Svensk nationell datatjänst</producer>
      </prodStmt>
      <holdings URI="https://doi.org/10.5281/zenodo.8309963">Landing page</holdings>
    </citation>
  </docDscr>
  <stdyDscr>
    <citation>
      <titlStmt>
        <titl xml:lang="sv"></titl>
        <parTitl xml:lang="en">Data and code for "Revealing the free energy landscape of halide perovskites: Metastability and transition characters in CsPbBr3 and MAPbI3"</parTitl>
        <IDNo agency="SND">doi-10-5281-zenodo-8309963-0</IDNo>
        <IDNo agency="DOI">https://doi.org/10.5281/zenodo.8309963</IDNo>
      </titlStmt>
      <rspStmt>
        <AuthEnty xml:lang="en" affiliation="Chalmers University of Technology">Fransson, Erik</AuthEnty>
        <AuthEnty xml:lang="en" affiliation="Chalmers University of Technology">Rahm, J. Magnus</AuthEnty>
        <AuthEnty xml:lang="en" affiliation="Chalmers University of Technology">Wiktor, Julia</AuthEnty>
        <AuthEnty xml:lang="en" affiliation="Chalmers University of Technology">Erhart, Paul</AuthEnty>
      </rspStmt>
      <prodStmt />
      <distStmt>
        <distrbtr xml:lang="en" abbr="SND" URI="https://snd.se">Swedish National Data Service</distrbtr>
        <distrbtr xml:lang="sv" abbr="SND" URI="https://snd.se">Svensk nationell datatjänst</distrbtr>
        <distDate xml:lang="en" date="2023-07-12" />
      </distStmt>
      <verStmt>
        <version elementVersion="0" elementVersionDate="2023-07-12" />
      </verStmt>
      <holdings URI="https://doi.org/10.5281/zenodo.8309963">Landing page</holdings>
    </citation>
    <stdyInfo>
      <subject />
      <abstract xml:lang="en" contentType="abstract">This record contains a neuroevolution potential (NEP) model (nep-MAPI-SCAN.txt ) for MAPbI3 used in the linked publication. The model can be used in conjunction with the GPUMD package. The calorine package provides a Python interface to GPUMD.
Several primitive structures in extended xyz format can be found in the *.xyz files. These structures have been relaxed using the NEP model included here. The demo-for-using-structures-and-model.py script illustrates how to access the structures and model.</abstract>
      <sumDscr />
    </stdyInfo>
    <method>
      <dataColl />
    </method>
    <dataAccs>
      <useStmt>
        <restrctn xml:lang="en">Access to data through an external actor. Data are freely accessible.</restrctn>
        <restrctn xml:lang="sv">Åtkomst till data via extern aktör. Data är fritt tillgängliga.</restrctn>
        <conditions elementVersion="info:eu-repo-Access-Terms vocabulary">openAccess</conditions>
      </useStmt>
    </dataAccs>
    <othrStdyMat />
  </stdyDscr>
</codeBook>