{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.723699 ] [ 0.5 0 0.276301 ] [ 0 0.5 0.223699 ] [ 0 0.5 0.776301 ] [ 0.5 0.704523 0 ] [ 0 0 0 ] [ 0.5 0.295477 0 ] [ 0 0.204523 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.795477 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.87362077678 "source-unit" "angstrom" } "b" { "source-value" 7.97358728967 "source-unit" "angstrom" } "c" { "source-value" 10.3052412806 "source-unit" "angstrom" } }