{ "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 0 0.665822 ] [ 0 0 0.334178 ] [ 0.333333 0.666667 0.111027 ] [ 0.666667 0.333333 0.888973 ] [ 0.666667 0.333333 0.576676 ] [ 0.333333 0.666667 0.778995 ] [ 0.666667 0.333333 0.221005 ] [ 0 0 0 ] [ 0.333333 0.666667 0.423324 ] ] } "species" { "source-value" [ "Bi" "Bi" "Pb" "Pb" "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" 4.27783164909 "source-unit" "angstrom" } "c" { "source-value" 16.87452433 "source-unit" "angstrom" } }