{ "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 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.117798 ] [ 0.666667 0.333333 0.617798 ] [ 0.666667 0.333333 0.882202 ] [ 0.333333 0.666667 0.382202 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.175717 0.351435 0.25 ] [ 0.824283 0.175717 0.75 ] [ 0.351435 0.175717 0.75 ] [ 0.648565 0.824283 0.25 ] [ 0.175717 0.824283 0.25 ] [ 0.824283 0.648565 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Mg" "Mg" "Mg" "Mg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.19804592965 "source-unit" "angstrom" } "c" { "source-value" 11.98728535 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.5421130705 "source-unit" "eV" } }