{ "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" [ [ 0.7703 0.484149 0.187071 ] [ 0.2297 0.984149 0.812929 ] [ 0.209622 0.235041 0.347011 ] [ 0.790378 0.735041 0.652989 ] [ 0.270692 0.740782 0.450102 ] [ 0.729308 0.240782 0.549898 ] [ 0.278385 0.269828 0.0749 ] [ 0.721615 0.769828 0.9251 ] [ 0.68637 0.759191 0.053541 ] [ 0.069423 0.262727 0.131962 ] [ 0.4446 0.281965 0.179459 ] [ 0.216661 0.925504 0.354977 ] [ 0.192971 0.552188 0.367533 ] [ 0.863111 0.258434 0.409638 ] [ 0.533334 0.732341 0.489496 ] [ 0.466666 0.232341 0.510504 ] [ 0.136889 0.758434 0.590362 ] [ 0.807029 0.052188 0.632467 ] [ 0.783339 0.425504 0.645023 ] [ 0.5554 0.781965 0.820541 ] [ 0.930577 0.762727 0.868038 ] [ 0.31363 0.259191 0.946459 ] ] } "species" { "source-value" [ "Na" "Na" "Zr" "Zr" "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" 5.79375506 "source-unit" "angstrom" } "b" { "source-value" 6.68371084 "source-unit" "angstrom" } "c" { "source-value" 9.35326101 "source-unit" "angstrom" } "beta" { "source-value" 92.40802652 "source-unit" "degree" } }