{ "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" [ [ 0.333333 0.666667 0.697396 ] [ 0.666667 0.333333 0.302604 ] [ 0 0 0 ] [ 0.694 0.847 0.207947 ] [ 0.153 0.306 0.207947 ] [ 0.153 0.847 0.207947 ] [ 0.306 0.153 0.792053 ] [ 0.847 0.694 0.792053 ] [ 0.847 0.153 0.792053 ] ] } "species" { "source-value" [ "Cs" "Cs" "Nb" "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" 6.52926833 "source-unit" "angstrom" } "c" { "source-value" 5.02988178 "source-unit" "angstrom" } }