{ "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 ] [ 0.333333 0.666667 0.229702 ] [ 0.666667 0.333333 0.770298 ] [ 0.314148 0.157074 0.845678 ] [ 0.842926 0.157074 0.845678 ] [ 0.842926 0.685852 0.845678 ] [ 0.157074 0.842926 0.154322 ] [ 0.333333 0.666667 0.468938 ] [ 0.666667 0.333333 0.531062 ] [ 0.157074 0.314148 0.154322 ] [ 0.685852 0.842926 0.154322 ] ] } "species" { "source-value" [ "K" "Al" "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" 5.63789569996 "source-unit" "angstrom" } "c" { "source-value" 7.31833434 "source-unit" "angstrom" } }