{ "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" [ [ 0.240459 0.183795 0.75858 ] [ 0.759541 0.816205 0.24142 ] [ 0.240459 0.316205 0.25858 ] [ 0.234539 0.809958 0.131167 ] [ 0.234539 0.690042 0.631167 ] [ 0.759541 0.683795 0.74142 ] [ 0.765461 0.309958 0.368833 ] [ 0.765461 0.190042 0.868833 ] [ 0.497538 0.672338 0.959819 ] [ 0.502981 0.539008 0.172802 ] [ 0.502462 0.172338 0.540181 ] [ 0.497538 0.827662 0.459819 ] [ 0.499043 0.409268 0.590685 ] [ 0.316805 0.498763 0.963407 ] [ 0.920852 0.50605 0.067565 ] [ 0.683195 0.501237 0.036593 ] [ 0.497019 0.460992 0.827198 ] [ 0.079148 0.00605 0.432435 ] [ 0.079148 0.49395 0.932435 ] [ 0.920852 0.99395 0.567565 ] [ 0.499043 0.090732 0.090685 ] [ 0.500957 0.590732 0.409315 ] [ 0.497019 0.039008 0.327198 ] [ 0.502981 0.960992 0.672802 ] [ 0.683195 0.998763 0.536593 ] [ 0.316805 0.001237 0.463407 ] [ 0.500957 0.909268 0.909315 ] [ 0.502462 0.327662 0.040181 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.21519109457 "source-unit" "angstrom" } "b" { "source-value" 7.22193498 "source-unit" "angstrom" } "c" { "source-value" 7.25082888939 "source-unit" "angstrom" } "beta" { "source-value" 101.887213142 "source-unit" "degree" } }