{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fddd" } "basis-atom-coordinates" { "source-value" [ [ 0.375 0.060839 0.875 ] [ 0.375 0.689161 0.875 ] [ 0.125 0.439161 0.125 ] [ 0.125 0.810839 0.125 ] [ 0.375 0.560839 0.375 ] [ 0.375 0.189161 0.375 ] [ 0.125 0.939161 0.625 ] [ 0.125 0.310839 0.625 ] [ 0.875 0.560839 0.875 ] [ 0.875 0.189161 0.875 ] [ 0.625 0.939161 0.125 ] [ 0.625 0.310839 0.125 ] [ 0.875 0.060839 0.375 ] [ 0.875 0.689161 0.375 ] [ 0.625 0.439161 0.625 ] [ 0.625 0.810839 0.625 ] [ 0.375 0.375 0.875 ] [ 0.125 0.125 0.125 ] [ 0.375 0.875 0.375 ] [ 0.125 0.625 0.625 ] [ 0.875 0.875 0.875 ] [ 0.625 0.625 0.125 ] [ 0.875 0.375 0.375 ] [ 0.625 0.125 0.625 ] [ 0.530023 0.271772 0.948749 ] [ 0.530023 0.478228 0.801251 ] [ 0.219977 0.271772 0.801251 ] [ 0.219977 0.478228 0.948749 ] [ 0.969977 0.228228 0.051251 ] [ 0.969977 0.021772 0.198749 ] [ 0.280023 0.021772 0.051251 ] [ 0.280023 0.228228 0.198749 ] [ 0.530023 0.771772 0.448749 ] [ 0.530023 0.978228 0.301251 ] [ 0.219977 0.771772 0.301251 ] [ 0.219977 0.978228 0.448749 ] [ 0.969977 0.728228 0.551251 ] [ 0.969977 0.521772 0.698749 ] [ 0.280023 0.521772 0.551251 ] [ 0.280023 0.728228 0.698749 ] [ 0.030023 0.771772 0.948749 ] [ 0.030023 0.978228 0.801251 ] [ 0.719977 0.771772 0.801251 ] [ 0.719977 0.978228 0.948749 ] [ 0.469977 0.728228 0.051251 ] [ 0.469977 0.521772 0.198749 ] [ 0.780023 0.521772 0.051251 ] [ 0.780023 0.728228 0.198749 ] [ 0.030023 0.271772 0.448749 ] [ 0.030023 0.478228 0.301251 ] [ 0.719977 0.271772 0.301251 ] [ 0.719977 0.478228 0.448749 ] [ 0.469977 0.228228 0.551251 ] [ 0.469977 0.021772 0.698749 ] [ 0.780023 0.021772 0.551251 ] [ 0.780023 0.228228 0.698749 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.10528356327 "source-unit" "angstrom" } "b" { "source-value" 10.0210601764 "source-unit" "angstrom" } "c" { "source-value" 12.0057895625 "source-unit" "angstrom" } }