{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.721813 ] [ 0 0 0.278187 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0 0.772411 ] [ 0.5 0.5 0.772411 ] [ 0 0.5 0.772411 ] [ 0.5 0 0.227589 ] [ 0.5 0.5 0.227589 ] [ 0 0.5 0.227589 ] ] } "species" { "source-value" [ "K" "K" "Li" "Al" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.64566562 "source-unit" "angstrom" } "c" { "source-value" 8.62740798 "source-unit" "angstrom" } }