{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.153435 0.5 0.175213 ] [ 0.846565 0.5 0.824787 ] [ 0.653435 0 0.175213 ] [ 0.346565 0 0.824787 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.101477 0.5 0.506143 ] [ 0.898523 0.5 0.493857 ] [ 0.172295 0.5 0.583076 ] [ 0.827705 0.5 0.416924 ] [ 0.24174 0.5 0.655783 ] [ 0.75826 0.5 0.344217 ] [ 0.000101 0 0.238948 ] [ 0.999899 0 0.761052 ] [ 0.933242 0 0.153873 ] [ 0.066758 0 0.846127 ] [ 0.869383 0 0.066325 ] [ 0.130617 0 0.933675 ] [ 0.601477 0 0.506143 ] [ 0.398523 0 0.493857 ] [ 0.672295 0 0.583076 ] [ 0.327705 0 0.416924 ] [ 0.74174 0 0.655783 ] [ 0.25826 0 0.344217 ] [ 0.500101 0.5 0.238948 ] [ 0.499899 0.5 0.761052 ] [ 0.433242 0.5 0.153873 ] [ 0.566758 0.5 0.846127 ] [ 0.369383 0.5 0.066325 ] [ 0.630617 0.5 0.933675 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cd" "Cd" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.6236137564 "source-unit" "angstrom" } "b" { "source-value" 3.88492229 "source-unit" "angstrom" } "c" { "source-value" 8.98291017886 "source-unit" "angstrom" } "beta" { "source-value" 94.0643657298 "source-unit" "degree" } }