{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.250194 ] [ 0.666667 0.333333 0.749806 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0.31156 ] [ 0 0 0.68844 ] [ 0.333333 0.666667 0.43857 ] [ 0.333333 0.666667 0.56143 ] [ 0 0 0.188725 ] [ 0.666667 0.333333 0.938595 ] [ 0 0 0.811275 ] [ 0.666667 0.333333 0.061405 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 3.474896426 "source-unit" "angstrom" } "c" { "source-value" 27.36088262 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.092705450833333 "source-unit" "eV" } }