{ "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 0 0.5 ] [ 0.666667 0.333333 0.219604 ] [ 0.333333 0.666667 0.780396 ] [ 0.842623 0.157377 0.147045 ] [ 0.842623 0.685246 0.147045 ] [ 0.314754 0.157377 0.147045 ] [ 0.685246 0.842623 0.852955 ] [ 0.333333 0.666667 0.551032 ] [ 0.666667 0.333333 0.448968 ] [ 0.157377 0.842623 0.852955 ] [ 0.157377 0.314754 0.852955 ] ] } "species" { "source-value" [ "Al" "Tl" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.64307047956 "source-unit" "angstrom" } "c" { "source-value" 7.64753356 "source-unit" "angstrom" } }