{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.518751 0.817059 ] [ 0.75 0.481249 0.182941 ] [ 0.25 0.018751 0.682941 ] [ 0.75 0.981249 0.317059 ] [ 0.75 0.839986 0.920896 ] [ 0.25 0.160014 0.079104 ] [ 0.75 0.339986 0.579104 ] [ 0.25 0.660014 0.420896 ] [ 0.25 0.747176 0.101511 ] [ 0.75 0.252824 0.898489 ] [ 0.25 0.247176 0.398489 ] [ 0.75 0.752824 0.601511 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.80297506 "source-unit" "angstrom" } "b" { "source-value" 8.80246357 "source-unit" "angstrom" } "c" { "source-value" 10.82705736 "source-unit" "angstrom" } }