{ "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 ] [ 0.333333 0.666667 0.847234 ] [ 0.666667 0.333333 0.416586 ] [ 0.333333 0.666667 0.583414 ] [ 0.666667 0.333333 0.152766 ] [ 0.666667 0.333333 0.932378 ] [ 0 0 0.5 ] [ 0 0 0.776707 ] [ 0 0 0.223293 ] [ 0.333333 0.666667 0.067622 ] [ 0.333333 0.666667 0.346164 ] [ 0.666667 0.333333 0.653836 ] ] } "species" { "source-value" [ "Ge" "Bi" "Bi" "Bi" "Bi" "Te" "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" 4.41269336049 "source-unit" "angstrom" } "c" { "source-value" 24.67139863 "source-unit" "angstrom" } }