{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.996005 0.5 0.246855 ] [ 0.003995 0.5 0.753145 ] [ 0.496005 0 0.246855 ] [ 0.503995 0 0.753145 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.269496 0.73403 0.239887 ] [ 0.230504 0.23403 0.760113 ] [ 0.730504 0.26597 0.760113 ] [ 0.769496 0.76597 0.239887 ] [ 0.054763 0 0.323342 ] [ 0.945237 0 0.676658 ] [ 0.769496 0.23403 0.239887 ] [ 0.730504 0.73403 0.760113 ] [ 0.230504 0.76597 0.760113 ] [ 0.269496 0.26597 0.239887 ] [ 0.554763 0.5 0.323342 ] [ 0.445237 0.5 0.676658 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Bi" "Bi" "Sb" "Sb" "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" 10.6389768635 "source-unit" "angstrom" } "b" { "source-value" 6.10869999083 "source-unit" "angstrom" } "c" { "source-value" 8.64058496277 "source-unit" "angstrom" } "beta" { "source-value" 144.642825081 "source-unit" "degree" } }