{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.087682 0.612831 0.185986 ] [ 0.087682 0.112831 0.314014 ] [ 0.412318 0.112831 0.814014 ] [ 0.412318 0.612831 0.685986 ] [ 0.587682 0.887169 0.185986 ] [ 0.587682 0.387169 0.314014 ] [ 0.912318 0.387169 0.814014 ] [ 0.912318 0.887169 0.685986 ] [ 0.122221 0.170249 0.058297 ] [ 0.122221 0.670249 0.441703 ] [ 0.377779 0.670249 0.941703 ] [ 0.377779 0.170249 0.558297 ] [ 0.622221 0.829751 0.441703 ] [ 0.622221 0.329751 0.058297 ] [ 0.877779 0.329751 0.558297 ] [ 0.877779 0.829751 0.941703 ] [ 0.106431 0.234077 0.66788 ] [ 0.106431 0.734077 0.83212 ] [ 0.297041 0.859404 0.544006 ] [ 0.297041 0.359404 0.955994 ] [ 0.202959 0.359404 0.455994 ] [ 0.202959 0.859404 0.044006 ] [ 0.393569 0.734077 0.33212 ] [ 0.393569 0.234077 0.16788 ] [ 0.606431 0.765923 0.83212 ] [ 0.606431 0.265923 0.66788 ] [ 0.797041 0.140596 0.955994 ] [ 0.797041 0.640596 0.544006 ] [ 0.702959 0.640596 0.044006 ] [ 0.702959 0.140596 0.455994 ] [ 0.893569 0.265923 0.16788 ] [ 0.893569 0.765923 0.33212 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "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" 5.44124896 "source-unit" "angstrom" } "b" { "source-value" 6.10252773 "source-unit" "angstrom" } "c" { "source-value" 12.29145582 "source-unit" "angstrom" } }