{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.96837 0.81958 0.25 ] [ 0.81958 0.85121 0.75 ] [ 0.03163 0.18042 0.75 ] [ 0.18042 0.14879 0.25 ] [ 0.85121 0.03163 0.25 ] [ 0.14879 0.96837 0.75 ] [ 0.935859 0.642583 0.75 ] [ 0.293276 0.935859 0.25 ] [ 0.706724 0.064141 0.75 ] [ 0.064141 0.357417 0.25 ] [ 0.642583 0.706724 0.25 ] [ 0.357417 0.293276 0.75 ] ] } "species" { "source-value" [ "Tl" "Tl" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.23612811116 "source-unit" "angstrom" } "c" { "source-value" 4.52868563 "source-unit" "angstrom" } }