{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.197363 0.802637 0.842659 ] [ 0.802637 0.197363 0.342659 ] [ 0.394725 0.197363 0.342659 ] [ 0.802637 0.605275 0.342659 ] [ 0.605275 0.802637 0.842659 ] [ 0.333333 0.666667 0.285445 ] [ 0.666667 0.333333 0.785445 ] [ 0.197363 0.394725 0.842659 ] [ 0 0 0.500202 ] [ 0 0 0.000202 ] [ 0.128993 0.257987 0.235758 ] [ 0.871007 0.742013 0.735758 ] [ 0.257987 0.128993 0.735758 ] [ 0.05989 0.529945 0.555962 ] [ 0.128993 0.871007 0.235758 ] [ 0.529945 0.05989 0.055962 ] [ 0.529945 0.470055 0.055962 ] [ 0.94011 0.470055 0.055962 ] [ 0.470055 0.94011 0.555962 ] [ 0.742013 0.871007 0.235758 ] [ 0.470055 0.529945 0.555962 ] [ 0.871007 0.128993 0.735758 ] [ 0.333333 0.666667 0.952195 ] [ 0.666667 0.333333 0.452195 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Fe" "Fe" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "O" "O" ] } "a" { "source-value" 9.49440134 "source-unit" "angstrom" } "c" { "source-value" 7.07191204 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.387580583333333 "source-unit" "eV" } }