{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.769569 0.533291 0.228536 ] [ 0.230431 0.033291 0.771464 ] [ 0.219736 0.222226 0.371754 ] [ 0.780264 0.722226 0.628246 ] [ 0.283157 0.730071 0.416182 ] [ 0.716843 0.230071 0.583818 ] [ 0.276846 0.276448 0.069458 ] [ 0.723154 0.776448 0.930542 ] [ 0.691007 0.742521 0.055864 ] [ 0.054338 0.28476 0.117877 ] [ 0.461149 0.297146 0.154322 ] [ 0.212467 0.906887 0.336746 ] [ 0.156971 0.556327 0.35412 ] [ 0.794935 0.250826 0.43008 ] [ 0.5717 0.701647 0.41996 ] [ 0.4283 0.201647 0.58004 ] [ 0.205065 0.750826 0.56992 ] [ 0.843029 0.056327 0.64588 ] [ 0.787533 0.406887 0.663254 ] [ 0.538851 0.797146 0.845678 ] [ 0.945662 0.78476 0.882123 ] [ 0.308993 0.242521 0.944136 ] ] } "species" { "source-value" [ "Na" "Na" "Pr" "Pr" "P" "P" "C" "C" "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" 5.36373732 "source-unit" "angstrom" } "b" { "source-value" 7.20851245 "source-unit" "angstrom" } "c" { "source-value" 9.79634197 "source-unit" "angstrom" } "beta" { "source-value" 90.76177069 "source-unit" "degree" } }