{ "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" [ [ 0.324734 0.494233 0.242631 ] [ 0.175266 0.994233 0.257369 ] [ 0.675266 0.505767 0.757369 ] [ 0.824734 0.005767 0.742631 ] [ 0.829631 0.036892 0.414111 ] [ 0.670369 0.536892 0.085889 ] [ 0.170369 0.963108 0.585889 ] [ 0.329631 0.463108 0.914111 ] [ 0.673243 0.519949 0.413897 ] [ 0.826757 0.019949 0.086103 ] [ 0.326757 0.480051 0.586103 ] [ 0.173243 0.980051 0.913897 ] [ 0.076564 0.662439 0.08126 ] [ 0.423436 0.162439 0.41874 ] [ 0.923436 0.337561 0.91874 ] [ 0.576564 0.837561 0.58126 ] [ 0.572355 0.854364 0.257576 ] [ 0.927645 0.354364 0.242424 ] [ 0.427645 0.145636 0.742424 ] [ 0.072355 0.645636 0.757576 ] [ 0.5698 0.85678 0.91223 ] [ 0.9302 0.35678 0.58777 ] [ 0.4302 0.14322 0.08777 ] [ 0.0698 0.64322 0.41223 ] [ 0.345101 0.765228 0.417705 ] [ 0.154899 0.265228 0.082295 ] [ 0.654899 0.234772 0.582295 ] [ 0.845101 0.734772 0.917705 ] [ 0.908624 0.740258 0.269631 ] [ 0.591376 0.240258 0.230369 ] [ 0.091376 0.259742 0.730369 ] [ 0.408624 0.759742 0.769631 ] [ 0.407807 0.809342 0.066961 ] [ 0.092193 0.309342 0.433039 ] [ 0.592193 0.190658 0.933039 ] [ 0.907807 0.690658 0.566961 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ge" "Ge" "Ge" "Ge" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.40329799839 "source-unit" "angstrom" } "b" { "source-value" 7.62077642 "source-unit" "angstrom" } "c" { "source-value" 13.5679422558 "source-unit" "angstrom" } "beta" { "source-value" 90.0237422826 "source-unit" "degree" } }