{ "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" [ [ 0.250446 0.25 0.498832 ] [ 0.982098 0.486666 0.216563 ] [ 0.982098 0.013334 0.216563 ] [ 0.24878 0.75 0.078314 ] [ 0.513353 0.483567 0.215818 ] [ 0.513353 0.016433 0.215818 ] [ 0.017902 0.986666 0.783437 ] [ 0.749554 0.75 0.501168 ] [ 0.017902 0.513334 0.783437 ] [ 0.486647 0.983567 0.784182 ] [ 0.75122 0.25 0.921686 ] [ 0.486647 0.516433 0.784182 ] [ 0.250978 0.75 0.463792 ] [ 0.250501 0.25 0.999323 ] [ 0.749022 0.25 0.536208 ] [ 0.749499 0.75 0.000677 ] [ 0.003497 0.25 0.015997 ] [ 0.996503 0.75 0.984003 ] [ 0.24989 0.980734 0.381115 ] [ 0.24989 0.519266 0.381115 ] [ 0.754846 0.75 0.23398 ] [ 0.018023 0.75 0.389184 ] [ 0.502207 0.75 0.991442 ] [ 0.747478 0.25 0.298513 ] [ 0.497793 0.25 0.008558 ] [ 0.981977 0.25 0.610816 ] [ 0.245154 0.25 0.76602 ] [ 0.249344 0.002615 0.984832 ] [ 0.75011 0.480734 0.618885 ] [ 0.75011 0.019266 0.618885 ] [ 0.249344 0.497385 0.984832 ] [ 0.258644 0.25 0.232308 ] [ 0.517418 0.25 0.614595 ] [ 0.741356 0.75 0.767692 ] [ 0.482582 0.75 0.385405 ] [ 0.750656 0.997385 0.015168 ] [ 0.750656 0.502615 0.015168 ] [ 0.252522 0.75 0.701487 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "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" 8.61755815 "source-unit" "angstrom" } "b" { "source-value" 8.58263287 "source-unit" "angstrom" } "c" { "source-value" 8.85599111 "source-unit" "angstrom" } "beta" { "source-value" 90.12502703 "source-unit" "degree" } }