{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.724137 0.643704 0.203583 ] [ 0.080433 0.724137 0.703583 ] [ 0.356296 0.080433 0.203583 ] [ 0.919567 0.275863 0.203583 ] [ 0.643704 0.919567 0.703583 ] [ 0.275863 0.356296 0.703583 ] [ 0 0 0.368851 ] [ 0 0 0.868851 ] [ 0.666667 0.333333 0.747113 ] [ 0.333333 0.666667 0.247113 ] [ 0.175549 0.048061 0.86062 ] [ 0.793963 0.533745 0.544464 ] [ 0.127487 0.175549 0.36062 ] [ 0.739783 0.206037 0.544464 ] [ 0.135224 0.519782 0.470778 ] [ 0.615442 0.135224 0.970778 ] [ 0.260217 0.793963 0.044464 ] [ 0.951939 0.127487 0.86062 ] [ 0.206037 0.466255 0.044464 ] [ 0.864776 0.480218 0.970778 ] [ 0.872513 0.824451 0.86062 ] [ 0.533745 0.739783 0.044464 ] [ 0.519782 0.384558 0.970778 ] [ 0.384558 0.864776 0.470778 ] [ 0.048061 0.872513 0.36062 ] [ 0.480218 0.615442 0.470778 ] [ 0.466255 0.260217 0.544464 ] [ 0.824451 0.951939 0.36062 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "B" "B" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.79891803503 "source-unit" "angstrom" } "c" { "source-value" 5.5933737 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.174964720714286 "source-unit" "eV" } }