{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.683059 0 ] [ 0.316941 0.316941 0 ] [ 0.683059 0 0 ] [ 0 0.349177 0.5 ] [ 0.650823 0.650823 0.5 ] [ 0.349177 0 0.5 ] [ 0 0 0.714119 ] [ 0 0 0.285881 ] [ 0.333333 0.666667 0.781129 ] [ 0.333333 0.666667 0.218871 ] [ 0.666667 0.333333 0.218871 ] [ 0.666667 0.333333 0.781129 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" 7.9161603 "source-unit" "angstrom" } "c" { "source-value" 5.92082736 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.4182060775 "source-unit" "eV" } }