{ "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" [ [ 0.618529 0 0.25 ] [ 0.381471 0 0.75 ] [ 0.381471 0.381471 0.25 ] [ 0 0.618529 0.25 ] [ 0 0.381471 0.75 ] [ 0.618529 0.618529 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.245875 0.245875 0.75 ] [ 0.754125 0.754125 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0 0.245875 0.25 ] [ 0.245875 0 0.25 ] [ 0.754125 0 0.75 ] [ 0.666667 0.333333 0 ] [ 0 0.754125 0.75 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Mn" "Mn" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" 9.40881123073 "source-unit" "angstrom" } "c" { "source-value" 6.43370128 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.541368113333333 "source-unit" "eV" } }