{ "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" [ [ 0.274028 0.25 0.070656 ] [ 0.725972 0.75 0.929344 ] [ 0.221233 0.25 0.549711 ] [ 0.778767 0.75 0.450289 ] [ 0.2119 0.75 0.292931 ] [ 0.7881 0.25 0.707069 ] [ 0.996134 0.008617 0.231835 ] [ 0.003866 0.508617 0.768165 ] [ 0.003866 0.991383 0.768165 ] [ 0.996134 0.491383 0.231835 ] [ 0.373582 0.75 0.561112 ] [ 0.626418 0.25 0.438888 ] [ 0.411881 0.75 0.130676 ] [ 0.588119 0.25 0.869324 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.2187750229 "source-unit" "angstrom" } "b" { "source-value" 7.18004178 "source-unit" "angstrom" } "c" { "source-value" 9.26415294296 "source-unit" "angstrom" } "beta" { "source-value" 108.513741429 "source-unit" "degree" } }