{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.63145 0 0.698242 ] [ 0.36855 0 0.301758 ] [ 0.13145 0.5 0.698242 ] [ 0.86855 0.5 0.301758 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.554684 0 0.964689 ] [ 0.269218 0 0.72588 ] [ 0.730782 0 0.27412 ] [ 0.445316 0 0.035311 ] [ 0.054684 0.5 0.964689 ] [ 0.769218 0.5 0.72588 ] [ 0.230782 0.5 0.27412 ] [ 0.945316 0.5 0.035311 ] [ 0.106455 0.686657 0.928821 ] [ 0.106455 0.313343 0.928821 ] [ 0.893545 0.313343 0.071179 ] [ 0.840465 0.323229 0.709401 ] [ 0.159535 0.323229 0.290599 ] [ 0.840465 0.676771 0.709401 ] [ 0.893545 0.686657 0.071179 ] [ 0.159535 0.676771 0.290599 ] [ 0.606455 0.186657 0.928821 ] [ 0.606455 0.813343 0.928821 ] [ 0.393545 0.813343 0.071179 ] [ 0.340465 0.823229 0.709401 ] [ 0.659535 0.823229 0.290599 ] [ 0.340465 0.176771 0.709401 ] [ 0.393545 0.186657 0.071179 ] [ 0.659535 0.176771 0.290599 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ca" "Ca" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.09325448445 "source-unit" "angstrom" } "b" { "source-value" 6.08653494769 "source-unit" "angstrom" } "c" { "source-value" 11.4403833379 "source-unit" "angstrom" } "beta" { "source-value" 93.0119172094 "source-unit" "degree" } }