{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.298048 0.75 ] [ 0 0.201952 0.25 ] [ 0 0.798048 0.75 ] [ 0.5 0.701952 0.25 ] [ 0.5 0.877484 0.75 ] [ 0 0.622516 0.25 ] [ 0 0.377484 0.75 ] [ 0.5 0.122516 0.25 ] [ 0.861228 0.335006 0.323913 ] [ 0.640088 0.434162 0.13571 ] [ 0.859912 0.934162 0.36429 ] [ 0.638772 0.835006 0.176087 ] [ 0.861228 0.664994 0.823913 ] [ 0.640088 0.565838 0.63571 ] [ 0.859912 0.065838 0.86429 ] [ 0.638772 0.164994 0.676087 ] [ 0.361228 0.835006 0.323913 ] [ 0.140088 0.934162 0.13571 ] [ 0.359912 0.434162 0.36429 ] [ 0.138772 0.335006 0.176087 ] [ 0.361228 0.164994 0.823913 ] [ 0.140088 0.065838 0.63571 ] [ 0.359912 0.565838 0.86429 ] [ 0.138772 0.664994 0.676087 ] [ 0.751034 0.410198 0.178782 ] [ 0.614334 0.863266 0.000927 ] [ 0.847109 0.122623 0.270298 ] [ 0.885744 0.785982 0.286777 ] [ 0.614256 0.285982 0.213223 ] [ 0.652891 0.622623 0.229702 ] [ 0.885666 0.363266 0.499073 ] [ 0.748966 0.910198 0.321218 ] [ 0.431355 0.45355 0.555492 ] [ 0.931355 0.04645 0.055492 ] [ 0.568018 0.096646 0.717662 ] [ 0.068018 0.403354 0.217662 ] [ 0.431982 0.096646 0.782338 ] [ 0.931982 0.403354 0.282338 ] [ 0.568645 0.45355 0.944508 ] [ 0.068645 0.04645 0.444508 ] [ 0.751034 0.589802 0.678782 ] [ 0.614334 0.136734 0.500927 ] [ 0.847109 0.877377 0.770298 ] [ 0.885744 0.214018 0.786777 ] [ 0.614256 0.714018 0.713223 ] [ 0.652891 0.377377 0.729702 ] [ 0.885666 0.636734 0.999073 ] [ 0.748966 0.089802 0.821218 ] [ 0.251034 0.910198 0.178782 ] [ 0.114334 0.363266 0.000927 ] [ 0.347109 0.622623 0.270298 ] [ 0.385744 0.285982 0.286777 ] [ 0.114256 0.785982 0.213223 ] [ 0.152891 0.122623 0.229702 ] [ 0.385666 0.863266 0.499073 ] [ 0.248966 0.410198 0.321218 ] [ 0.931355 0.95355 0.555492 ] [ 0.431355 0.54645 0.055492 ] [ 0.068018 0.596646 0.717662 ] [ 0.568018 0.903354 0.217662 ] [ 0.931982 0.596646 0.782338 ] [ 0.431982 0.903354 0.282338 ] [ 0.068645 0.95355 0.944508 ] [ 0.568645 0.54645 0.444508 ] [ 0.251034 0.089802 0.678782 ] [ 0.114334 0.636734 0.500927 ] [ 0.347109 0.377377 0.770298 ] [ 0.385744 0.714018 0.786777 ] [ 0.114256 0.214018 0.713223 ] [ 0.152891 0.877377 0.729702 ] [ 0.385666 0.136734 0.999073 ] [ 0.248966 0.589802 0.821218 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 16.22836081 "source-unit" "angstrom" } "b" { "source-value" 7.37595983 "source-unit" "angstrom" } "c" { "source-value" 9.55714114 "source-unit" "angstrom" } "beta" { "source-value" 125.4172058 "source-unit" "degree" } }