{ "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 0.090151 ] [ 0.666667 0.333333 0.909849 ] [ 0.666667 0.333333 0.590151 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.409849 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.339482 ] [ 0.333333 0.666667 0.660518 ] [ 0.666667 0.333333 0.160518 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.839482 ] [ 0 0 0 ] [ 0.835582 0.164418 0.082551 ] [ 0.835582 0.671164 0.082551 ] [ 0.835582 0.164418 0.417449 ] [ 0.164418 0.328836 0.582551 ] [ 0.835582 0.671164 0.417449 ] [ 0.985165 0.492583 0.25 ] [ 0.328836 0.164418 0.082551 ] [ 0.507417 0.492583 0.25 ] [ 0.328836 0.164418 0.417449 ] [ 0.671164 0.835582 0.917449 ] [ 0.164418 0.835582 0.917449 ] [ 0.164418 0.835582 0.582551 ] [ 0.671164 0.835582 0.582551 ] [ 0.507417 0.014835 0.25 ] [ 0.164418 0.328836 0.917449 ] [ 0.492583 0.985165 0.75 ] [ 0.492583 0.507417 0.75 ] [ 0.014835 0.507417 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.57508901629 "source-unit" "angstrom" } "c" { "source-value" 18.87334011 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.9451379843333334 "source-unit" "eV" } }