{ "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" [ [ 0.757068 0.25 0.070769 ] [ 0.249091 0.007494 0.24173 ] [ 0.249091 0.492506 0.24173 ] [ 0.750909 0.507494 0.75827 ] [ 0.750909 0.992506 0.75827 ] [ 0.242932 0.75 0.929231 ] [ 0.770579 0.75 0.347933 ] [ 0.229421 0.25 0.652067 ] [ 0.733765 0.75 0.057803 ] [ 0.266235 0.25 0.942197 ] [ 0.703645 0.25 0.403546 ] [ 0.296355 0.75 0.596454 ] [ 0.283305 0.25 0.085912 ] [ 0.963506 0.75 0.135397 ] [ 0.52336 0.75 0.147024 ] [ 0.80708 0.077861 0.319869 ] [ 0.80708 0.422139 0.319869 ] [ 0.417846 0.25 0.398169 ] [ 0.211817 0.75 0.434122 ] [ 0.788183 0.25 0.565878 ] [ 0.582154 0.75 0.601831 ] [ 0.19292 0.577861 0.680131 ] [ 0.19292 0.922139 0.680131 ] [ 0.47664 0.25 0.852976 ] [ 0.036494 0.25 0.864603 ] [ 0.716695 0.75 0.914088 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "B" "B" "P" "P" "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" 5.41038362 "source-unit" "angstrom" } "b" { "source-value" 7.15139776 "source-unit" "angstrom" } "c" { "source-value" 9.31541792 "source-unit" "angstrom" } "beta" { "source-value" 91.07186822 "source-unit" "degree" } }