{ "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 ] [ 0.748782 0 0.25 ] [ 0.748782 0.748782 0.75 ] [ 0 0.251218 0.75 ] [ 0 0.748782 0.25 ] [ 0.251218 0.251218 0.25 ] [ 0.251218 0 0.75 ] [ 0.391288 0 0.25 ] [ 0.391288 0.391288 0.75 ] [ 0 0.608712 0.75 ] [ 0 0.391288 0.25 ] [ 0.608712 0.608712 0.25 ] [ 0.608712 0 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" 9.77769890089 "source-unit" "angstrom" } "c" { "source-value" 7.58187243 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.388396123125 "source-unit" "eV" } }