{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.764384 0.506108 0.237213 ] [ 0.764384 0.993892 0.237213 ] [ 0.235616 0.493892 0.762787 ] [ 0.235616 0.006108 0.762787 ] [ 0.208747 0.25 0.360805 ] [ 0.791253 0.75 0.639195 ] [ 0.293346 0.75 0.43101 ] [ 0.706654 0.25 0.56899 ] [ 0.274777 0.25 0.07713 ] [ 0.725223 0.75 0.92287 ] [ 0.714506 0.75 0.059621 ] [ 0.058601 0.25 0.144219 ] [ 0.472216 0.25 0.161865 ] [ 0.220426 0.951692 0.332164 ] [ 0.220426 0.548308 0.332164 ] [ 0.853118 0.25 0.413846 ] [ 0.60359 0.75 0.461562 ] [ 0.39641 0.25 0.538438 ] [ 0.146882 0.75 0.586154 ] [ 0.779574 0.451692 0.667836 ] [ 0.779574 0.048308 0.667836 ] [ 0.527784 0.75 0.838135 ] [ 0.941399 0.75 0.855781 ] [ 0.285494 0.25 0.940379 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "Si" "Si" "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" 5.29347552 "source-unit" "angstrom" } "b" { "source-value" 6.51124823 "source-unit" "angstrom" } "c" { "source-value" 9.21102208 "source-unit" "angstrom" } "beta" { "source-value" 90.69428098 "source-unit" "degree" } }