{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.396892 0.879863 ] [ 0.603108 0.603108 0.879863 ] [ 0.603108 0 0.120137 ] [ 0.396892 0 0.620137 ] [ 0.396892 0.396892 0.379863 ] [ 0.603108 0 0.379863 ] [ 0.396892 0.396892 0.120137 ] [ 0 0.603108 0.120137 ] [ 0 0.396892 0.620137 ] [ 0.603108 0.603108 0.620137 ] [ 0.396892 0 0.879863 ] [ 0 0.603108 0.379863 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.712386 0 0.75 ] [ 0.287614 0.287614 0.75 ] [ 0.287614 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.712386 0.712386 0.25 ] [ 0 0.287614 0.25 ] [ 0 0.712386 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Fe" "Fe" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 6.24759458051 "source-unit" "angstrom" } "c" { "source-value" 12.26531742 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.96118493125 "source-unit" "eV" } }