{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.5 0.5 0.300076 ] [ 0.5 0 0.300076 ] [ 0.5 0 0.699924 ] [ 0.5 0.5 0.699924 ] [ 0 0.5 0.699924 ] [ 0.333333 0.666667 0 ] [ 0 0.5 0.300076 ] ] } "species" { "source-value" [ "Ce" "Ce" "B" "B" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" 5.48061781043 "source-unit" "angstrom" } "c" { "source-value" 7.73031053 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.910759880833333 "source-unit" "eV" } }