{ "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" [ [ 0.082129 0.017884 0.19375 ] [ 0.994946 0.245048 0.98844 ] [ 0.529618 0.19195 0.241033 ] [ 0.913034 0.258226 0.473177 ] [ 0.110484 0.087168 0.635723 ] [ 0.586966 0.758226 0.526823 ] [ 0.504844 0.175174 0.758154 ] [ 0.086966 0.741774 0.526823 ] [ 0.494946 0.254952 0.98844 ] [ 0.389516 0.587168 0.364277 ] [ 0.505054 0.745048 0.01156 ] [ 0.005054 0.754952 0.01156 ] [ 0.413034 0.241774 0.473177 ] [ 0.470382 0.80805 0.758967 ] [ 0.917871 0.982116 0.80625 ] [ 0.610484 0.412832 0.635723 ] [ 0.995156 0.675174 0.241846 ] [ 0.889516 0.912832 0.364277 ] [ 0.970382 0.69195 0.758967 ] [ 0.495156 0.824826 0.241846 ] [ 0.417871 0.517884 0.80625 ] [ 0.029618 0.30805 0.241033 ] [ 0.582129 0.482116 0.19375 ] [ 0.004844 0.324826 0.758154 ] [ 0.327243 0.99304 0.926584 ] [ 0.322018 0.97904 0.433792 ] [ 0.177982 0.47904 0.566208 ] [ 0.822018 0.52096 0.433792 ] [ 0.172757 0.49304 0.073416 ] [ 0.827243 0.50696 0.926584 ] [ 0.677982 0.02096 0.566208 ] [ 0.672757 0.00696 0.073416 ] [ 0.309329 0.640365 0.145393 ] [ 0.20538 0.833015 0.875374 ] [ 0.376638 0.610389 0.613963 ] [ 0.809329 0.859635 0.145393 ] [ 0.620652 0.998559 0.904024 ] [ 0.690671 0.359635 0.854607 ] [ 0.761656 0.183174 0.630917 ] [ 0.876638 0.889611 0.613963 ] [ 0.738344 0.683174 0.369083 ] [ 0.879348 0.498559 0.095976 ] [ 0.29462 0.333015 0.124626 ] [ 0.190671 0.140365 0.854607 ] [ 0.238344 0.816826 0.369083 ] [ 0.406919 0.9662 0.602307 ] [ 0.623362 0.389611 0.386037 ] [ 0.120652 0.501441 0.904024 ] [ 0.261656 0.316826 0.630917 ] [ 0.123362 0.110389 0.386037 ] [ 0.593081 0.0338 0.397693 ] [ 0.379348 0.001441 0.095976 ] [ 0.79462 0.166985 0.124626 ] [ 0.093081 0.4662 0.397693 ] [ 0.70538 0.666985 0.875374 ] [ 0.906919 0.5338 0.602307 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.65787220926 "source-unit" "angstrom" } "b" { "source-value" 12.15587 "source-unit" "angstrom" } "c" { "source-value" 13.8017339112 "source-unit" "angstrom" } "beta" { "source-value" 98.8209948653 "source-unit" "degree" } }