{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.462917 ] [ 0.333333 0.666667 0.537083 ] [ 0.666667 0.333333 0.713992 ] [ 0.333333 0.666667 0.286008 ] [ 0 0 0.871492 ] [ 0 0 0.128508 ] [ 0 0 0.649287 ] [ 0 0 0.350713 ] [ 0.666667 0.333333 0.208304 ] [ 0.333333 0.666667 0.791696 ] [ 0.666667 0.333333 0.934327 ] [ 0.333333 0.666667 0.065673 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 4.25832182777 "source-unit" "angstrom" } "c" { "source-value" 24.15937822 "source-unit" "angstrom" } }