{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.666667 0.333333 0.819645 ] [ 0.333333 0.666667 0.180355 ] [ 0 0 0 ] [ 0.186316 0.813684 0.752086 ] [ 0.186316 0.372632 0.752086 ] [ 0.627368 0.813684 0.752086 ] [ 0.372632 0.186316 0.247914 ] [ 0.813684 0.627368 0.247914 ] [ 0.813684 0.186316 0.247914 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.01933077204 "source-unit" "angstrom" } "c" { "source-value" 5.20107696 "source-unit" "angstrom" } }