{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.113653 0.886347 0.386347 ] [ 0.886347 0.386347 0.113653 ] [ 0.119104 0.119104 0.119104 ] [ 0.880896 0.619104 0.380896 ] [ 0.386347 0.113653 0.886347 ] [ 0.613653 0.613653 0.613653 ] [ 0.619104 0.380896 0.880896 ] [ 0.380896 0.880896 0.619104 ] [ 0.352962 0.641666 0.888424 ] [ 0.153584 0.634831 0.116169 ] [ 0.134831 0.383831 0.846416 ] [ 0.383831 0.846416 0.134831 ] [ 0.858334 0.111576 0.852962 ] [ 0.852962 0.858334 0.111576 ] [ 0.653584 0.865169 0.883831 ] [ 0.865169 0.883831 0.653584 ] [ 0.116169 0.153584 0.634831 ] [ 0.611576 0.647038 0.141666 ] [ 0.141666 0.611576 0.647038 ] [ 0.346416 0.365169 0.616169 ] [ 0.388424 0.147038 0.358334 ] [ 0.358334 0.388424 0.147038 ] [ 0.616169 0.346416 0.365169 ] [ 0.634831 0.116169 0.153584 ] [ 0.111576 0.852962 0.858334 ] [ 0.846416 0.134831 0.383831 ] [ 0.147038 0.358334 0.388424 ] [ 0.888424 0.352962 0.641666 ] [ 0.365169 0.616169 0.346416 ] [ 0.883831 0.653584 0.865169 ] [ 0.641666 0.888424 0.352962 ] [ 0.647038 0.141666 0.611576 ] [ 0.467244 0.967244 0.532756 ] [ 0.772137 0.772137 0.772137 ] [ 0.230022 0.502557 0.243859 ] [ 0.269978 0.497443 0.743859 ] [ 0.120424 0.749975 0.444432 ] [ 0.227863 0.272137 0.727863 ] [ 0.250485 0.053362 0.142735 ] [ 0.727863 0.227863 0.272137 ] [ 0.769978 0.002557 0.256141 ] [ 0.241082 0.470863 0.503201 ] [ 0.529137 0.003201 0.258918 ] [ 0.249515 0.946638 0.642735 ] [ 0.532756 0.467244 0.967244 ] [ 0.784258 0.215742 0.715742 ] [ 0.249975 0.055568 0.879576 ] [ 0.741082 0.029137 0.496799 ] [ 0.357265 0.749515 0.553362 ] [ 0.553362 0.357265 0.749515 ] [ 0.756141 0.730022 0.997443 ] [ 0.473182 0.026818 0.973182 ] [ 0.284258 0.284258 0.284258 ] [ 0.496799 0.741082 0.029137 ] [ 0.758918 0.970863 0.996799 ] [ 0.730022 0.997443 0.756141 ] [ 0.032756 0.032756 0.032756 ] [ 0.215742 0.715742 0.784258 ] [ 0.258918 0.529137 0.003201 ] [ 0.857265 0.750485 0.446638 ] [ 0.944432 0.379576 0.250025 ] [ 0.526818 0.526818 0.526818 ] [ 0.243859 0.230022 0.502557 ] [ 0.444432 0.120424 0.749975 ] [ 0.996799 0.758918 0.970863 ] [ 0.970863 0.996799 0.758918 ] [ 0.029137 0.496799 0.741082 ] [ 0.379576 0.250025 0.944432 ] [ 0.002557 0.256141 0.769978 ] [ 0.620424 0.750025 0.555568 ] [ 0.946638 0.642735 0.249515 ] [ 0.749515 0.553362 0.357265 ] [ 0.055568 0.879576 0.249975 ] [ 0.555568 0.620424 0.750025 ] [ 0.715742 0.784258 0.215742 ] [ 0.750485 0.446638 0.857265 ] [ 0.749975 0.444432 0.120424 ] [ 0.256141 0.769978 0.002557 ] [ 0.879576 0.249975 0.055568 ] [ 0.997443 0.756141 0.730022 ] [ 0.026818 0.973182 0.473182 ] [ 0.973182 0.473182 0.026818 ] [ 0.446638 0.857265 0.750485 ] [ 0.272137 0.727863 0.227863 ] [ 0.250025 0.944432 0.379576 ] [ 0.497443 0.743859 0.269978 ] [ 0.750025 0.555568 0.620424 ] [ 0.967244 0.532756 0.467244 ] [ 0.142735 0.250485 0.053362 ] [ 0.642735 0.249515 0.946638 ] [ 0.470863 0.503201 0.241082 ] [ 0.502557 0.243859 0.230022 ] [ 0.743859 0.269978 0.497443 ] [ 0.003201 0.258918 0.529137 ] [ 0.503201 0.241082 0.470863 ] [ 0.053362 0.142735 0.250485 ] ] } "species" { "source-value" [ "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" "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" 11.72075703 "source-unit" "angstrom" } }