{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.439369 ] [ 0.666667 0.333333 0.939369 ] [ 0.666667 0.333333 0.560631 ] [ 0.333333 0.666667 0.060631 ] [ 0.659769 0.829885 0.75 ] [ 0.340231 0.170115 0.25 ] [ 0.829885 0.170115 0.25 ] [ 0.170115 0.340231 0.75 ] [ 0.170115 0.829885 0.75 ] [ 0.829885 0.659769 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.88366890887 "source-unit" "angstrom" } "c" { "source-value" 7.82751525 "source-unit" "angstrom" } }