{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_322" } "basis-atom-coordinates" { "source-value" [ [ 0 0.678894 0.5 ] [ 0 0.321106 0 ] [ 0.678894 0.678894 0 ] [ 0.678894 0 0.5 ] [ 0.321106 0.321106 0.5 ] [ 0.321106 0 0 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.6617091492 "source-unit" "angstrom" } "c" { "source-value" 4.32030252 "source-unit" "angstrom" } }