{ "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" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.251986 0 0.25 ] [ 0.251986 0.251986 0.75 ] [ 0 0.748014 0.75 ] [ 0 0.251986 0.25 ] [ 0.748014 0.748014 0.25 ] [ 0.748014 0 0.75 ] [ 0.610912 0 0.25 ] [ 0.610912 0.610912 0.75 ] [ 0 0.389088 0.75 ] [ 0 0.610912 0.25 ] [ 0.389088 0.389088 0.25 ] [ 0.389088 0 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "a" { "source-value" 9.08704719042 "source-unit" "angstrom" } "c" { "source-value" 6.99021841 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.787321149375 "source-unit" "eV" } }