{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.013078 0.960026 0.75 ] [ 0.486922 0.460026 0.75 ] [ 0.513078 0.539974 0.25 ] [ 0.986922 0.039974 0.25 ] [ 0.096818 0.46655 0.25 ] [ 0.206586 0.209069 0.551349 ] [ 0.206586 0.209069 0.948651 ] [ 0.293414 0.709069 0.948651 ] [ 0.293414 0.709069 0.551349 ] [ 0.403182 0.96655 0.25 ] [ 0.596818 0.03345 0.75 ] [ 0.706586 0.290931 0.051349 ] [ 0.706586 0.290931 0.448651 ] [ 0.793414 0.790931 0.051349 ] [ 0.793414 0.790931 0.448651 ] [ 0.903182 0.53345 0.75 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Tl" "Tl" "Tl" "Tl" "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" 5.25125971 "source-unit" "angstrom" } "b" { "source-value" 5.36046763 "source-unit" "angstrom" } "c" { "source-value" 7.61239149 "source-unit" "angstrom" } }