{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.632932 0.75 ] [ 0 0.367068 0.25 ] [ 0.5 0.132932 0.75 ] [ 0.5 0.867068 0.25 ] [ 0 0.844489 0.25 ] [ 0 0.155511 0.75 ] [ 0.5 0.344489 0.25 ] [ 0.5 0.655511 0.75 ] [ 0.86433 0.705069 0.343599 ] [ 0.13567 0.705069 0.156401 ] [ 0.13567 0.294931 0.656401 ] [ 0.86433 0.294931 0.843599 ] [ 0.36433 0.205069 0.343599 ] [ 0.63567 0.205069 0.156401 ] [ 0.63567 0.794931 0.656401 ] [ 0.36433 0.794931 0.843599 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cl" "Cl" "Cl" "Cl" "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" 6.63529034479 "source-unit" "angstrom" } "b" { "source-value" 6.5898291023 "source-unit" "angstrom" } "c" { "source-value" 6.53765763084 "source-unit" "angstrom" } "beta" { "source-value" 116.475887732 "source-unit" "degree" } }