{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.762445 0.522719 0.232124 ] [ 0.237555 0.022719 0.767876 ] [ 0.213733 0.235772 0.34012 ] [ 0.786267 0.735772 0.65988 ] [ 0.279838 0.742965 0.433616 ] [ 0.720162 0.242965 0.566384 ] [ 0.271586 0.256102 0.079174 ] [ 0.728414 0.756102 0.920826 ] [ 0.688195 0.757055 0.053189 ] [ 0.049204 0.250219 0.140678 ] [ 0.455824 0.258802 0.187666 ] [ 0.219042 0.938862 0.332992 ] [ 0.204537 0.550143 0.336325 ] [ 0.879929 0.254396 0.427411 ] [ 0.565211 0.735114 0.475482 ] [ 0.434789 0.235114 0.524518 ] [ 0.120071 0.754396 0.572589 ] [ 0.795463 0.050143 0.663675 ] [ 0.780958 0.438862 0.667008 ] [ 0.544176 0.758802 0.812334 ] [ 0.950796 0.750219 0.859322 ] [ 0.311805 0.257055 0.946811 ] ] } "species" { "source-value" [ "Na" "Na" "Cr" "Cr" "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" 5.28253846 "source-unit" "angstrom" } "b" { "source-value" 6.29847624 "source-unit" "angstrom" } "c" { "source-value" 9.0665091 "source-unit" "angstrom" } "beta" { "source-value" 92.16748759 "source-unit" "degree" } }