{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.777705 0.25 0.08284 ] [ 0.240182 0.004308 0.24975 ] [ 0.240182 0.495692 0.24975 ] [ 0.759818 0.504308 0.75025 ] [ 0.759818 0.995692 0.75025 ] [ 0.222295 0.75 0.91716 ] [ 0.764174 0.75 0.371106 ] [ 0.235826 0.25 0.628894 ] [ 0.723337 0.25 0.394987 ] [ 0.276663 0.75 0.605013 ] [ 0.732541 0.75 0.054471 ] [ 0.267459 0.25 0.945529 ] [ 0.257232 0.25 0.081699 ] [ 0.944628 0.75 0.131978 ] [ 0.515232 0.75 0.115763 ] [ 0.829893 0.07715 0.315867 ] [ 0.829893 0.42285 0.315867 ] [ 0.431677 0.25 0.38323 ] [ 0.190941 0.75 0.442571 ] [ 0.809059 0.25 0.557429 ] [ 0.568323 0.75 0.61677 ] [ 0.170107 0.57715 0.684133 ] [ 0.170107 0.92285 0.684133 ] [ 0.484768 0.25 0.884237 ] [ 0.055372 0.25 0.868022 ] [ 0.742768 0.75 0.918301 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sn" "Sn" "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" 5.2963756 "source-unit" "angstrom" } "b" { "source-value" 7.17056756 "source-unit" "angstrom" } "c" { "source-value" 9.43083458 "source-unit" "angstrom" } "beta" { "source-value" 92.06095313 "source-unit" "degree" } }