{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.255197 ] [ 0.333333 0.666667 0.755197 ] [ 0 0 0.023755 ] [ 0 0 0.523755 ] [ 0.846781 0.153219 0.775349 ] [ 0.153219 0.306438 0.275349 ] [ 0.693562 0.846781 0.275349 ] [ 0.153219 0.846781 0.275349 ] [ 0.846781 0.693562 0.775349 ] [ 0.306438 0.153219 0.775349 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cu" "Cu" "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" } "a" { "source-value" 7.31131082914 "source-unit" "angstrom" } "c" { "source-value" 6.03053736 "source-unit" "angstrom" } }