{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.004491 0 0.991191 ] [ 0.334648 0 0.264905 ] [ 0.668028 0 0.731536 ] [ 0.998983 0 0.496033 ] [ 0.504491 0.5 0.991191 ] [ 0.834648 0.5 0.264905 ] [ 0.168028 0.5 0.731536 ] [ 0.498983 0.5 0.496033 ] [ 0.316558 0 0.751601 ] [ 0.661554 0 0.238793 ] [ 0.816558 0.5 0.751601 ] [ 0.161554 0.5 0.238793 ] [ 0.890471 0.707146 0.717615 ] [ 0.890471 0.292854 0.717615 ] [ 0.09756 0.71055 0.281939 ] [ 0.09756 0.28945 0.281939 ] [ 0.788675 0 0.154833 ] [ 0.390471 0.207146 0.717615 ] [ 0.390471 0.792854 0.717615 ] [ 0.59756 0.21055 0.281939 ] [ 0.59756 0.78945 0.281939 ] [ 0.288675 0.5 0.154833 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "C" "C" "C" "C" "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" 8.60018059599 "source-unit" "angstrom" } "b" { "source-value" 5.35150861629 "source-unit" "angstrom" } "c" { "source-value" 6.20346224297 "source-unit" "angstrom" } "beta" { "source-value" 100.388444427 "source-unit" "degree" } }