{ "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" [ [ 0.513942 0.952597 0.751063 ] [ 0.986058 0.452597 0.748937 ] [ 0.486058 0.047403 0.248937 ] [ 0.013942 0.547403 0.251063 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.285765 0.806056 0.052906 ] [ 0.214235 0.306056 0.447094 ] [ 0.714235 0.193944 0.947094 ] [ 0.785765 0.693944 0.552906 ] [ 0.189343 0.284027 0.05968 ] [ 0.310657 0.784027 0.44032 ] [ 0.810657 0.715973 0.94032 ] [ 0.689343 0.215973 0.55968 ] [ 0.604846 0.456457 0.262995 ] [ 0.895154 0.956457 0.237005 ] [ 0.395154 0.543543 0.737005 ] [ 0.104846 0.043543 0.762995 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Nd" "Nd" "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" 6.02212139701 "source-unit" "angstrom" } "b" { "source-value" 6.19697761 "source-unit" "angstrom" } "c" { "source-value" 8.6171092858 "source-unit" "angstrom" } "beta" { "source-value" 90.2869938064 "source-unit" "degree" } }