@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dcatap: <http://data.europa.eu/r5r/> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix obi: <http://purl.obolibrary.org/obo/OBI_> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

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    dct:description """Data for the publication High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials, npj Comput. Mater., DOI: <a href="https://doi.org/10.1038/s41524-022-00956-8">10.1038/s41524-022-00956-8</a> (2023) <br>
<br>
This data set contains <br>
- the training sets (VASP files), <br>
- the low moment-tensor-potentials (MTPs) and high-MTPs, <br>
- the effective quasiharmonic (QH) potentials, <br>
- the free energies, <br>
- and the final thermodynamic database (properties) for the four unaries: <br>
Nb bcc PBE, Ni fcc PBE, Al fcc PBE, Al fcc LDA, Mg hcp PBE, and Mg hcp LDA. (niobium, nickel, aluminum, and magnesium) <br>
<br>
A flowchart and step-by-step methodology are provided in the Supplementary Information of the publication, and a short method in its main text, for the reproduction of the results.""" ;
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