{ "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" [ [ 0.125558 0.3569 0.740076 ] [ 0.768658 0.125558 0.240076 ] [ 0.3569 0.231342 0.240076 ] [ 0.6431 0.768658 0.740076 ] [ 0.231342 0.874442 0.740076 ] [ 0.874442 0.6431 0.240076 ] [ 0.333333 0.666667 0.330951 ] [ 0.666667 0.333333 0.830951 ] [ 0 0 0.184995 ] [ 0 0 0.684995 ] [ 0.522349 0.108593 0.980086 ] [ 0.477651 0.891407 0.480086 ] [ 0.108593 0.586245 0.480086 ] [ 0.586245 0.477651 0.980086 ] [ 0.093969 0.269569 0.226714 ] [ 0.8244 0.093969 0.726714 ] [ 0.413755 0.522349 0.480086 ] [ 0.891407 0.413755 0.980086 ] [ 0.333333 0.666667 0.956137 ] [ 0.666667 0.333333 0.456137 ] [ 0.906031 0.730431 0.726714 ] [ 0.1756 0.906031 0.226714 ] [ 0.730431 0.8244 0.226714 ] [ 0.269569 0.1756 0.726714 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 10.7923273913 "source-unit" "angstrom" } "c" { "source-value" 6.06507083 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.49269132625 "source-unit" "eV" } }