{ "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 0 0.159043 ] [ 0.666667 0.333333 0.544704 ] [ 0.666667 0.333333 0.76237 ] [ 0.333333 0.666667 0.452809 ] [ 0.333333 0.666667 0.044704 ] [ 0 0 0.347518 ] [ 0 0 0.659043 ] [ 0.666667 0.333333 0.952809 ] [ 0.333333 0.666667 0.26237 ] [ 0 0 0.847518 ] [ 0 0 0.748856 ] [ 0.666667 0.333333 0.865769 ] [ 0 0 0.248856 ] [ 0 0 0.00227 ] [ 0.333333 0.666667 0.365769 ] [ 0 0 0.50227 ] [ 0.666667 0.333333 0.62966 ] [ 0.333333 0.666667 0.12966 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "C" "C" "C" "C" "C" "C" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.30871036234 "source-unit" "angstrom" } "c" { "source-value" 21.8276154 "source-unit" "angstrom" } }