{ "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" [ [ 0.675266 0 0.291907 ] [ 0.324734 0 0.708093 ] [ 0.175266 0.5 0.291907 ] [ 0.824734 0.5 0.708093 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.84761 0 0.793547 ] [ 0.15239 0 0.206453 ] [ 0.34761 0.5 0.793547 ] [ 0.65239 0.5 0.206453 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "C" "C" "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" 5.81889080883 "source-unit" "angstrom" } "b" { "source-value" 5.76982508444 "source-unit" "angstrom" } "c" { "source-value" 5.91792992545 "source-unit" "angstrom" } "beta" { "source-value" 109.543859664 "source-unit" "degree" } }