{ "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 0.5 ] [ 0 0 0.278333 ] [ 0 0 0.721667 ] [ 0.666667 0.333333 0.854072 ] [ 0.333333 0.666667 0.145928 ] [ 0.333333 0.666667 0.424444 ] [ 0.666667 0.333333 0.575556 ] [ 0 0 0 ] [ 0.666667 0.333333 0.07849 ] [ 0.333333 0.666667 0.92151 ] [ 0.333333 0.666667 0.655043 ] [ 0.666667 0.333333 0.344957 ] ] } "species" { "source-value" [ "Ge" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.1233983 "source-unit" "angstrom" } "c" { "source-value" 23.52967648 "source-unit" "angstrom" } }