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dc.contributor.authorKorkus Hamal, Ester-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2020-02-13T12:21:08Z-
dc.date.available2020-02-13T12:21:08Z-
dc.date.created2020-02-13T13:21:06.416+01:00-
dc.date.issued2020-02-13T13:21:06.416+01:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/194184-
dc.descriptionA1-
dc.publisherBarcelona Supercomputing Center-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-33-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/1/A A1-
dc.typedataset-
dc.date.updated2020-02-13T12:21:08Z-
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Sep 16 2013 14:52:01) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-283.93875459en
cml.energy.unitseVen
cml.formula.genericH14Co4Fe4Ni4O26en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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