{ "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" [ [ 0.333333 0.666667 0.109556 ] [ 0.666667 0.333333 0.890444 ] [ 0.666667 0.333333 0.572528 ] [ 0.666667 0.333333 0.201488 ] [ 0.333333 0.666667 0.798512 ] [ 0 0 0 ] [ 0.333333 0.666667 0.427472 ] [ 0 0 0.340669 ] [ 0 0 0.659331 ] ] } "species" { "source-value" [ "Bi" "Bi" "Te" "Te" "Te" "Te" "Te" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.51931913891 "source-unit" "angstrom" } "c" { "source-value" 18.40676546 "source-unit" "angstrom" } }