{ "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" [ [ 0.241116 0.75 0.082828 ] [ 0.76199 0.987751 0.249587 ] [ 0.76199 0.512249 0.249587 ] [ 0.23801 0.487751 0.750413 ] [ 0.23801 0.012249 0.750413 ] [ 0.758884 0.25 0.917172 ] [ 0.239166 0.25 0.368893 ] [ 0.760834 0.75 0.631107 ] [ 0.299368 0.75 0.39969 ] [ 0.700632 0.25 0.60031 ] [ 0.266746 0.25 0.051902 ] [ 0.733254 0.75 0.948098 ] [ 0.716829 0.75 0.086057 ] [ 0.04318 0.25 0.111933 ] [ 0.474886 0.25 0.129189 ] [ 0.190134 0.920809 0.321726 ] [ 0.190134 0.579191 0.321726 ] [ 0.595685 0.75 0.388598 ] [ 0.763837 0.25 0.437003 ] [ 0.236163 0.75 0.562997 ] [ 0.404315 0.25 0.611402 ] [ 0.809866 0.420809 0.678274 ] [ 0.809866 0.079191 0.678274 ] [ 0.525114 0.75 0.870811 ] [ 0.95682 0.75 0.888067 ] [ 0.283171 0.25 0.913943 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sr" "Sr" "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" 5.2434524 "source-unit" "angstrom" } "b" { "source-value" 7.31761217 "source-unit" "angstrom" } "c" { "source-value" 9.41329939 "source-unit" "angstrom" } "beta" { "source-value" 90.44818299 "source-unit" "degree" } }