{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.737889 0.58605 0.851976 ] [ 0.243217 0.756756 0.092842 ] [ 0.243217 0.743244 0.592842 ] [ 0.756783 0.243244 0.907158 ] [ 0.262111 0.41395 0.148024 ] [ 0.737889 0.91395 0.351976 ] [ 0.262111 0.08605 0.648024 ] [ 0.756783 0.256756 0.407158 ] [ 0.216783 0.085841 0.190431 ] [ 0.783217 0.585841 0.309569 ] [ 0.783217 0.914159 0.809569 ] [ 0.216783 0.414159 0.690431 ] [ 0.87116 0.39934 0.665623 ] [ 0.12884 0.89934 0.834377 ] [ 0.12884 0.60066 0.334377 ] [ 0.87116 0.10066 0.165623 ] [ 0.279555 0.288448 0.854296 ] [ 0.720445 0.788448 0.645704 ] [ 0.720445 0.711552 0.145704 ] [ 0.279555 0.211552 0.354296 ] [ 0.246424 0.556256 0.829081 ] [ 0.246424 0.943744 0.329081 ] [ 0.753576 0.443744 0.170919 ] [ 0.753576 0.056256 0.670919 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Se" "Se" "Se" "Se" "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" 4.96247945336 "source-unit" "angstrom" } "b" { "source-value" 10.12492069 "source-unit" "angstrom" } "c" { "source-value" 7.02167780346 "source-unit" "angstrom" } "beta" { "source-value" 90.0507274661 "source-unit" "degree" } }