{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.43803 ] [ 0.666667 0.333333 0.93803 ] [ 0.666667 0.333333 0.56197 ] [ 0.333333 0.666667 0.06197 ] [ 0.168888 0.337776 0.75 ] [ 0.831112 0.168888 0.25 ] [ 0.337776 0.168888 0.25 ] [ 0.662224 0.831112 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.831112 0.662224 0.25 ] [ 0.168888 0.831112 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.26462907129 "source-unit" "angstrom" } "c" { "source-value" 10.00743672 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.8506890041666668 "source-unit" "eV" } }