{ "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" [ [ 0.408198 0.366536 0.529147 ] [ 0.591802 0.866536 0.470853 ] [ 0.168853 0.80941 0.779387 ] [ 0.831147 0.30941 0.220613 ] [ 0.963114 0.497889 0.611003 ] [ 0.036886 0.997889 0.388997 ] [ 0.750234 0.685859 0.900014 ] [ 0.249766 0.185859 0.099986 ] [ 0.594272 0.003472 0.98857 ] [ 0.405728 0.503472 0.01143 ] [ 0.855616 0.167704 0.73232 ] [ 0.144384 0.667704 0.26768 ] [ 0.579466 0.828844 0.890947 ] [ 0.420534 0.328844 0.109053 ] [ 0.782543 0.662429 0.673663 ] [ 0.217457 0.162429 0.326337 ] [ 0.024403 0.230998 0.942632 ] [ 0.975597 0.730998 0.057368 ] [ 0.940918 0.014583 0.644632 ] [ 0.059082 0.514583 0.355368 ] [ 0.791887 0.309203 0.574453 ] [ 0.208113 0.809203 0.425547 ] [ 0.249423 0.519866 0.791868 ] [ 0.750577 0.019866 0.208132 ] [ 0.36167 0.6225 0.186137 ] [ 0.63833 0.1225 0.813863 ] [ 0.653057 0.535417 0.995163 ] [ 0.346943 0.035417 0.004837 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Zn" "Zn" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "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" 6.48052782715 "source-unit" "angstrom" } "b" { "source-value" 8.74969689 "source-unit" "angstrom" } "c" { "source-value" 6.76923560545 "source-unit" "angstrom" } "beta" { "source-value" 103.575382092 "source-unit" "degree" } }