{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.568684 0.5 ] [ 0.431316 0.431316 0.5 ] [ 0.568684 0 0.5 ] [ 0.216449 0 0 ] [ 0.783551 0.783551 0 ] [ 0 0.216449 0 ] [ 0.207927 0 0.5 ] [ 0 0.207927 0.5 ] [ 0.419686 0.156514 0 ] [ 0 0.845563 0 ] [ 0.845563 0 0 ] [ 0.156514 0.419686 0 ] [ 0.736828 0.580314 0 ] [ 0.843486 0.263172 0 ] [ 0.792073 0.792073 0.5 ] [ 0.580314 0.736828 0 ] [ 0.263172 0.843486 0 ] [ 0.154437 0.154437 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Al" "Al" "Al" "F" "F" "F" "F" "F" "F" "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" 9.63109547889 "source-unit" "angstrom" } "c" { "source-value" 3.77101834 "source-unit" "angstrom" } }