{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.691114 0.75 0.867084 ] [ 0.308886 0.25 0.132916 ] [ 0.307717 0.25 0.695261 ] [ 0.692283 0.75 0.304739 ] [ 0.883116 0.25 0.216469 ] [ 0.116884 0.75 0.783531 ] [ 0.75039 0.25 0.555965 ] [ 0.24961 0.75 0.444035 ] [ 0.100646 0.75 0.918918 ] [ 0.899354 0.25 0.081082 ] [ 0.57114 0.75 0.163924 ] [ 0.42886 0.25 0.836076 ] ] } "species" { "source-value" [ "Nd" "Nd" "H" "H" "H" "H" "Cl" "Cl" "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" 6.30131378894 "source-unit" "angstrom" } "b" { "source-value" 3.89593148 "source-unit" "angstrom" } "c" { "source-value" 6.88595329949 "source-unit" "angstrom" } "beta" { "source-value" 112.563243115 "source-unit" "degree" } }