{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.410562 ] [ 0.666667 0.333333 0.089438 ] [ 0.333333 0.666667 0.589438 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.910562 ] [ 0.333333 0.666667 0.339933 ] [ 0.666667 0.333333 0.660067 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.160067 ] [ 0.666667 0.333333 0.839933 ] [ 0 0 0 ] [ 0.834002 0.668004 0.581595 ] [ 0.50861 0.49139 0.75 ] [ 0.331996 0.165998 0.581595 ] [ 0.50861 0.017221 0.75 ] [ 0.668004 0.834002 0.081595 ] [ 0.834002 0.668004 0.918405 ] [ 0.331996 0.165998 0.918405 ] [ 0.165998 0.834002 0.418405 ] [ 0.165998 0.331996 0.418405 ] [ 0.834002 0.165998 0.918405 ] [ 0.165998 0.834002 0.081595 ] [ 0.165998 0.331996 0.081595 ] [ 0.668004 0.834002 0.418405 ] [ 0.49139 0.50861 0.25 ] [ 0.834002 0.165998 0.581595 ] [ 0.982779 0.49139 0.75 ] [ 0.49139 0.982779 0.25 ] [ 0.017221 0.50861 0.25 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.18400258 "source-unit" "angstrom" } "c" { "source-value" 17.78743861 "source-unit" "angstrom" } }