{"dcterms:modified":"2025-03-10","dcterms:creator":"Repositorio de datos de investigación de la Universidad de Chile","@type":"ore:ResourceMap","@id":"http://datos.uchile.cl/api/datasets/export?exporter=OAI_ORE&persistentId=https://doi.org/10.34691/FK2/Z5CFN9","ore:describes":{"title":"Molecular dynamics of halide perovskite alloys","author":[{"citation:authorName":"Menéndez-Proupin, Eduardo","citation:authorAffiliation":"Escuela Politécnica Superior, Universidad de Sevilla","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0001-7534-8464"},{"citation:authorName":"Grau Crespo, Ricardo","citation:authorAffiliation":"University of Reading"}],"citation:datasetContact":{"citation:datasetContactName":"Menéndez-Proupin, Eduardo","citation:datasetContactAffiliation":"Escuela Politécnica Superior, Universidad de Sevilla","citation:datasetContactEmail":"emenendez@us.es"},"citation:dsDescription":{"citation:dsDescriptionValue":"MD simulations run with the CP2K code.","citation:dsDescriptionDate":"2021-11-19"},"subject":"Chemistry","citation:depositor":"Menéndez-Proupin, Eduardo","dateOfDeposit":"2021-11-19","@id":"https://doi.org/10.34691/FK2/Z5CFN9","@type":["ore:Aggregation","schema:Dataset"],"schema:version":"1.1","schema:name":"Molecular dynamics of halide perovskite alloys","schema:dateModified":"2025-03-10 17:32:05.56","schema:datePublished":"2021-11-22","schema:license":"http://creativecommons.org/licenses/by/4.0","dvcore:fileTermsOfAccess":{"dvcore:termsOfAccess":"Los archivos están para ser analizados en investigación. Pueden ser compartidos en colaboración científica y serán liberados cuando se publiquen los resultados de su análisis. The archives are in this repository to facilitate its analysis. They can be shared under terms of scientific collaboration. The date will be released after publication of its analysis.","dvcore:fileRequestAccess":true},"schema:includedInDataCatalog":"Repositorio de datos de investigación de la Universidad de Chile","schema:isPartOf":{"schema:name":"Facultad de Ciencias","@id":"http://datos.uchile.cl/dataverse/FC","schema:isPartOf":{"schema:name":"Repositorio de datos de investigación de la Universidad de Chile","@id":"http://datos.uchile.cl/dataverse/uchile","schema:description":"The root dataverse."}},"ore:aggregates":[{"schema:name":"FAPB-NVT-Nose.tar.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/VICGIJ","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/VICGIJ","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":1580405,"dvcore:storageIdentifier":"file://1875463e620-3f85de4d8497","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"a003c532ee36729cd9a1486d467994b6"}},{"schema:name":"FAPB-pos-1.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/PQH90W","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/PQH90W","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":157329459,"dvcore:storageIdentifier":"file://1875463c731-1f01892a8584","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"c9b7193f5bd70a40946539b1085e3aaa"}},{"schema:name":"FAPB-vel-1.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/WUXYJV","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/WUXYJV","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":109475725,"dvcore:storageIdentifier":"file://1875463bc82-66a0dd5c7851","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"36c2f28eb20291bdd367d369471ea609"}},{"schema:name":"FAPI-CsPB-NVT-Nose.tar.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/F7APSE","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/F7APSE","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":1568087,"dvcore:storageIdentifier":"file://1875463beb5-675bfc59afad","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"7eb63288dc1783cd21e4417280f08feb"}},{"schema:name":"FAPI-CsPB-pos-1-10021-14020.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/UCMVDT","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/UCMVDT","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":48577987,"dvcore:storageIdentifier":"file://1875463d584-90023ea8e43e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"0631bc56cc937ddb45fa6785c2240d66"}},{"schema:name":"FAPI-CsPB-pos-1-4001-6020-no-termalizado.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/WMBIR2","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/WMBIR2","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":24525958,"dvcore:storageIdentifier":"file://1875463fc79-83063adfc3b0","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"b204e05ecaa055ec1c1fba0f19b97e1a"}},{"schema:name":"FAPI-CsPB-pos-1-6021-10020.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/ZJVLCD","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/ZJVLCD","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":48548844,"dvcore:storageIdentifier":"file://1875463e8c9-a19ac7323f0d","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"767cac968c176c2f8f885318746a2cf5"}},{"schema:name":"FAPI-CsPB-vel-1-10021-14020.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/U5HTMV","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/U5HTMV","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":33617100,"dvcore:storageIdentifier":"file://18754640d6a-2d7902610252","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"2f66f05e607ea3662759d0f579f5bfed"}},{"schema:name":"FAPI-CsPB-vel-1-4001-6020.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/YMRI29","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/YMRI29","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":16984882,"dvcore:storageIdentifier":"file://1875463b77e-d5f19ccd8716","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"4fd68b6fd71831874ebefff2a5e15410"}},{"schema:name":"FAPI-CsPB-vel-1-6021-10020.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/XWNLFI","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/XWNLFI","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":33607912,"dvcore:storageIdentifier":"file://1875463fa86-dc1c0de97e8a","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"5eb3d23d6c4a7d06c395233c8a280e10"}},{"schema:name":"FAPI-FAPB-NVT-Nose.tar.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/CVDVJJ","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/CVDVJJ","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":1577536,"dvcore:storageIdentifier":"file://1875463d2fc-dbf9f4fcdde0","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"a0923f6a9ce3f0c7eff020f97bd200a2"}},{"schema:name":"FAPI-FAPB-pos-1.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/INL3AT","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/INL3AT","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":157128332,"dvcore:storageIdentifier":"file://18754641631-265ee5ba360d","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"72f5f4a54c6ca0bc4c61c30b5243325e"}},{"schema:name":"FAPI-FAPB-vel-1.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/Y5IS62","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/Y5IS62","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":109272811,"dvcore:storageIdentifier":"file://1875463f71b-98fb7bb5eb4f","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"477482da7469802e5b447d7769b586f4"}},{"schema:name":"FAPI-MAPI-NVT-Nose.tar.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/4RHUXN","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/4RHUXN","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":2098137,"dvcore:storageIdentifier":"file://1875463b7f9-c79592d14d66","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"c3155ff31dc7104f8baf347301b77c2c"}},{"schema:name":"FAPI-MAPI-pos-1-5001-21000.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/GQQS1R","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/GQQS1R","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":209457032,"dvcore:storageIdentifier":"file://1875463e1ff-a542dd9722b2","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"cad8e77cd544eba68ef02e3df450f6b1"}},{"schema:name":"FAPI-MAPI-vel-1-5001-21000.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/VQBD7V","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/VQBD7V","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":145589514,"dvcore:storageIdentifier":"file://1875463d019-3c79b2681fca","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"bd3789e829ba3161b1cd6ef92ab8ac5a"}},{"schema:name":"MAPI-NVT-Nose.tar.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/RO6YBO","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/RO6YBO","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":2304139,"dvcore:storageIdentifier":"file://1875463bee2-c62007295160","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"dd94256f59301de936f99ab3bbbe8bc1"}},{"schema:name":"MAPI-pos-1.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/P8HGI4","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/P8HGI4","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":217791069,"dvcore:storageIdentifier":"file://187546407e0-9f1cc8b25379","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"e8cf554711b93c58e9eafbffa5967b6b"}},{"schema:name":"MAPI-vel-1.xyz.bz2","dvcore:restricted":false,"dvcore:directoryLabel":"Dataset 1","schema:version":1,"dvcore:datasetVersionId":371,"@id":"doi:10.34691/FK2/Z5CFN9/GH1NCG","schema:sameAs":"http://datos.uchile.cl/api/access/datafile/:persistentId?persistentId=doi:10.34691/FK2/Z5CFN9/GH1NCG","@type":"ore:AggregatedResource","schema:fileFormat":"application/x-bzip2","dvcore:filesize":152034701,"dvcore:storageIdentifier":"file://1875463efda-205081a905bf","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"b640c480448235c7c84ba8400624c3b0"}}],"schema:hasPart":["doi:10.34691/FK2/Z5CFN9/VICGIJ","doi:10.34691/FK2/Z5CFN9/PQH90W","doi:10.34691/FK2/Z5CFN9/WUXYJV","doi:10.34691/FK2/Z5CFN9/F7APSE","doi:10.34691/FK2/Z5CFN9/UCMVDT","doi:10.34691/FK2/Z5CFN9/WMBIR2","doi:10.34691/FK2/Z5CFN9/ZJVLCD","doi:10.34691/FK2/Z5CFN9/U5HTMV","doi:10.34691/FK2/Z5CFN9/YMRI29","doi:10.34691/FK2/Z5CFN9/XWNLFI","doi:10.34691/FK2/Z5CFN9/CVDVJJ","doi:10.34691/FK2/Z5CFN9/INL3AT","doi:10.34691/FK2/Z5CFN9/Y5IS62","doi:10.34691/FK2/Z5CFN9/4RHUXN","doi:10.34691/FK2/Z5CFN9/GQQS1R","doi:10.34691/FK2/Z5CFN9/VQBD7V","doi:10.34691/FK2/Z5CFN9/RO6YBO","doi:10.34691/FK2/Z5CFN9/P8HGI4","doi:10.34691/FK2/Z5CFN9/GH1NCG"]},"@context":{"author":"http://purl.org/dc/terms/creator","authorIdentifier":"http://purl.org/spar/datacite/AgentIdentifier","authorIdentifierScheme":"http://purl.org/spar/datacite/AgentIdentifierScheme","citation":"https://dataverse.org/schema/citation/","dateOfDeposit":"http://purl.org/dc/terms/dateSubmitted","dcterms":"http://purl.org/dc/terms/","dvcore":"https://dataverse.org/schema/core#","ore":"http://www.openarchives.org/ore/terms/","schema":"http://schema.org/","subject":"http://purl.org/dc/terms/subject","title":"http://purl.org/dc/terms/title"}}