{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.811835 0.623671 0.5 ] [ 0.376329 0.188165 0.5 ] [ 0.811835 0.188165 0.5 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "K" "Ca" "C" "O" "O" "O" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.16420256 "source-unit" "angstrom" } "c" { "source-value" 4.50731234 "source-unit" "angstrom" } }