{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.759356 0.914939 ] [ 0.75 0.240644 0.085061 ] [ 0.25 0.259356 0.585061 ] [ 0.75 0.740644 0.414939 ] [ 0.25 0.916471 0.262208 ] [ 0.75 0.083529 0.737792 ] [ 0.25 0.416471 0.237792 ] [ 0.75 0.583529 0.762208 ] [ 0.473913 0.413815 0.319568 ] [ 0.973913 0.586185 0.680432 ] [ 0.026087 0.913815 0.180432 ] [ 0.526087 0.086185 0.819568 ] [ 0.75 0.592744 0.922822 ] [ 0.25 0.407256 0.077178 ] [ 0.75 0.092744 0.577178 ] [ 0.25 0.907256 0.422822 ] [ 0.526087 0.586185 0.680432 ] [ 0.026087 0.413815 0.319568 ] [ 0.973913 0.086185 0.819568 ] [ 0.473913 0.913815 0.180432 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "C" "C" "C" "C" "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" 5.01605496 "source-unit" "angstrom" } "b" { "source-value" 5.81207079 "source-unit" "angstrom" } "c" { "source-value" 8.03479772 "source-unit" "angstrom" } }