{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.99867 0.018267 0.25 ] [ 0.49867 0.481733 0.75 ] [ 0.50133 0.518267 0.25 ] [ 0.00133 0.981733 0.75 ] [ 0.559549 0.009178 0.75 ] [ 0.212861 0.213155 0.52969 ] [ 0.212861 0.213155 0.97031 ] [ 0.712861 0.286845 0.47031 ] [ 0.712861 0.286845 0.02969 ] [ 0.059549 0.490822 0.25 ] [ 0.940451 0.509178 0.75 ] [ 0.287139 0.713155 0.52969 ] [ 0.287139 0.713155 0.97031 ] [ 0.787139 0.786845 0.02969 ] [ 0.787139 0.786845 0.47031 ] [ 0.440451 0.990822 0.25 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Pb" "Pb" "Pb" "Pb" "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" 5.80999872 "source-unit" "angstrom" } "b" { "source-value" 5.8366891 "source-unit" "angstrom" } "c" { "source-value" 8.27872997 "source-unit" "angstrom" } }