{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] [ 0.372746 0.372746 0.718941 ] [ 0.627254 0 0.718941 ] [ 0 0.627254 0.718941 ] [ 0.372746 0 0.281059 ] [ 0 0.372746 0.281059 ] [ 0.627254 0.627254 0.281059 ] ] } "species" { "source-value" [ "As" "As" "Pd" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.9279385 "source-unit" "angstrom" } "c" { "source-value" 4.73854366 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.820788388888889 "source-unit" "eV" } }