{ "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 0 0.093182 ] [ 0 0 0.593182 ] [ 0 0 0.906818 ] [ 0 0 0.406818 ] [ 0.333333 0.666667 0.844201 ] [ 0.666667 0.333333 0.344201 ] [ 0.666667 0.333333 0.155799 ] [ 0.333333 0.666667 0.655799 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.164245 0.835755 0.25 ] [ 0.32849 0.164245 0.75 ] [ 0.835755 0.67151 0.75 ] [ 0.164245 0.32849 0.25 ] [ 0.67151 0.835755 0.25 ] [ 0.835755 0.164245 0.75 ] [ 0.333333 0.666667 0.125096 ] [ 0.666667 0.333333 0.625096 ] [ 0.666667 0.333333 0.874904 ] [ 0.333333 0.666667 0.374904 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.80284361769 "source-unit" "angstrom" } "c" { "source-value" 15.73814399 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.598941475416667 "source-unit" "eV" } }