{ "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" [ [ 0.255522 0.745447 0.112499 ] [ 0.255522 0.754553 0.612499 ] [ 0.251207 0.418627 0.125763 ] [ 0.251207 0.081373 0.625763 ] [ 0.748793 0.918627 0.374237 ] [ 0.748793 0.581373 0.874237 ] [ 0.744478 0.245447 0.387501 ] [ 0.744478 0.254553 0.887501 ] [ 0.240975 0.089511 0.140014 ] [ 0.240975 0.410489 0.640014 ] [ 0.759025 0.589511 0.359986 ] [ 0.759025 0.910489 0.859986 ] [ 0.240062 0.570621 0.3931 ] [ 0.240062 0.929379 0.8931 ] [ 0.250904 0.934895 0.344025 ] [ 0.250904 0.565105 0.844025 ] [ 0.247163 0.248454 0.379734 ] [ 0.247163 0.251546 0.879734 ] [ 0.752837 0.748454 0.120266 ] [ 0.752837 0.751546 0.620266 ] [ 0.749096 0.434895 0.155975 ] [ 0.749096 0.065105 0.655975 ] [ 0.759938 0.070621 0.1069 ] [ 0.759938 0.429379 0.6069 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "Bi" "Bi" "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" 4.83684197 "source-unit" "angstrom" } "b" { "source-value" 10.03647428 "source-unit" "angstrom" } "c" { "source-value" 6.77374031 "source-unit" "angstrom" } "beta" { "source-value" 90.182558 "source-unit" "degree" } }