{ "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" [ [ 0.770528 0.535971 0.230823 ] [ 0.229472 0.035971 0.769177 ] [ 0.220495 0.221208 0.373367 ] [ 0.779505 0.721208 0.626633 ] [ 0.284406 0.728327 0.416465 ] [ 0.715594 0.228327 0.583535 ] [ 0.276042 0.278649 0.070849 ] [ 0.723958 0.778649 0.929151 ] [ 0.688487 0.73887 0.054465 ] [ 0.050618 0.288872 0.119046 ] [ 0.459989 0.302891 0.156751 ] [ 0.211722 0.905428 0.335889 ] [ 0.152835 0.55404 0.355839 ] [ 0.789853 0.249158 0.428217 ] [ 0.576403 0.698735 0.4158 ] [ 0.423597 0.198735 0.5842 ] [ 0.210147 0.749158 0.571783 ] [ 0.847165 0.05404 0.644161 ] [ 0.788278 0.405428 0.664111 ] [ 0.540011 0.802891 0.843249 ] [ 0.949382 0.788872 0.880954 ] [ 0.311513 0.23887 0.945535 ] ] } "species" { "source-value" [ "Na" "Na" "Nd" "Nd" "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" 5.29800478 "source-unit" "angstrom" } "b" { "source-value" 7.16264279 "source-unit" "angstrom" } "c" { "source-value" 9.74337464 "source-unit" "angstrom" } "beta" { "source-value" 90.49524974 "source-unit" "degree" } }