{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.222583 0 ] [ 0.5 0.722583 0 ] [ 0 0.901689 0.5 ] [ 0.5 0.401689 0.5 ] [ 0.214426 0.940685 0.610891 ] [ 0.785574 0.940685 0.389109 ] [ 0.714426 0.440685 0.610891 ] [ 0.285574 0.440685 0.389109 ] ] } "species" { "source-value" [ "Na" "Na" "H" "H" "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" 5.17290633875 "source-unit" "angstrom" } "b" { "source-value" 4.89460399462 "source-unit" "angstrom" } "c" { "source-value" 3.18458546833 "source-unit" "angstrom" } "beta" { "source-value" 98.0503266038 "source-unit" "degree" } }