{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.991418 0.463559 0.750837 ] [ 0.508582 0.963559 0.749163 ] [ 0.491418 0.036441 0.250837 ] [ 0.008582 0.536441 0.249163 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.729526 0.199727 0.961768 ] [ 0.770474 0.699727 0.538232 ] [ 0.270474 0.800273 0.038232 ] [ 0.229526 0.300273 0.461768 ] [ 0.803568 0.728554 0.959726 ] [ 0.696432 0.228554 0.540274 ] [ 0.196432 0.271446 0.040274 ] [ 0.303568 0.771446 0.459726 ] [ 0.426299 0.518546 0.734206 ] [ 0.073701 0.018546 0.765794 ] [ 0.573701 0.481454 0.265794 ] [ 0.926299 0.981454 0.234206 ] ] } "species" { "source-value" [ "Tb" "Tb" "Sr" "Sr" "Sr" "Sr" "Ir" "Ir" "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" 5.83309550207 "source-unit" "angstrom" } "b" { "source-value" 5.8908855 "source-unit" "angstrom" } "c" { "source-value" 8.2810631974 "source-unit" "angstrom" } "beta" { "source-value" 90.4371199045 "source-unit" "degree" } }