{ "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 0.868684 ] [ 0 0 0.131316 ] [ 0.333333 0.666667 0.707233 ] [ 0.666667 0.333333 0.292767 ] [ 0.333333 0.666667 0.468245 ] [ 0.666667 0.333333 0.531755 ] [ 0.333333 0.666667 0.937847 ] [ 0.666667 0.333333 0.062153 ] [ 0.333333 0.666667 0.212333 ] [ 0.666667 0.333333 0.787667 ] [ 0 0 0.637292 ] [ 0 0 0.362708 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 4.3515463 "source-unit" "angstrom" } "c" { "source-value" 24.49222818 "source-unit" "angstrom" } }