{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.886862 0.287202 0.848592 ] [ 0.113138 0.787202 0.151408 ] [ 0.359452 0.292496 0.396827 ] [ 0.640548 0.792496 0.603173 ] [ 0.883303 0.509037 0.343572 ] [ 0.116697 0.009037 0.656428 ] [ 0.350696 0.504929 0.894652 ] [ 0.649304 0.004929 0.105348 ] [ 0.829546 0.559269 0.824039 ] [ 0.170454 0.059269 0.175961 ] [ 0.402344 0.566519 0.408638 ] [ 0.597656 0.066519 0.591362 ] [ 0.157343 0.735346 0.667775 ] [ 0.842657 0.235346 0.332225 ] [ 0.593734 0.730304 0.087831 ] [ 0.406266 0.230304 0.912169 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.73430878206 "source-unit" "angstrom" } "b" { "source-value" 10.85224061 "source-unit" "angstrom" } "c" { "source-value" 5.75015241869 "source-unit" "angstrom" } "beta" { "source-value" 101.101841308 "source-unit" "degree" } }