{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.801117 0.198883 0.500275 ] [ 0.602234 0.801117 0.000275 ] [ 0.198883 0.397766 0.000275 ] [ 0.801117 0.602234 0.500275 ] [ 0.397766 0.198883 0.500275 ] [ 0.198883 0.801117 0.000275 ] [ 0.666667 0.333333 0.927698 ] [ 0.333333 0.666667 0.427698 ] [ 0.861987 0.138013 0.882348 ] [ 0.723974 0.861987 0.382348 ] [ 0.138013 0.276026 0.382348 ] [ 0.861987 0.723974 0.882348 ] [ 0.276026 0.138013 0.882348 ] [ 0.138013 0.861987 0.382348 ] [ 0.462641 0.537359 0.709711 ] [ 0.925283 0.462641 0.209711 ] [ 0.537359 0.074717 0.209711 ] [ 0.462641 0.925283 0.709711 ] [ 0.074717 0.537359 0.709711 ] [ 0.537359 0.462641 0.209711 ] [ 0.666667 0.333333 0.606791 ] [ 0.333333 0.666667 0.106791 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.14337607929 "source-unit" "angstrom" } "c" { "source-value" 6.91334966 "source-unit" "angstrom" } }