{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.665876 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.334124 ] [ 0 0 0 ] [ 0.333333 0.666667 0.164861 ] [ 0.666667 0.333333 0.835139 ] [ 0.738441 0.120772 0.734792 ] [ 0.382331 0.261559 0.734792 ] [ 0.879228 0.617669 0.734792 ] [ 0.261559 0.879228 0.265208 ] [ 0.120772 0.382331 0.265208 ] [ 0.617669 0.738441 0.265208 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "S" "S" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.52276463181 "source-unit" "angstrom" } "c" { "source-value" 6.19934792 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.2848483208333334 "source-unit" "eV" } }