{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.875 0.5 0.75 ] [ 0.5 0.75 0.875 ] [ 0.75 0.875 0.5 ] [ 0.125 0 0.75 ] [ 0.75 0.125 0 ] [ 0 0.75 0.125 ] [ 0.375 0 0.25 ] [ 0 0.25 0.375 ] [ 0.25 0.375 0 ] [ 0.625 0.5 0.25 ] [ 0.25 0.625 0.5 ] [ 0.5 0.25 0.625 ] [ 0.584078 0.415922 0.915922 ] [ 0.915922 0.584078 0.415922 ] [ 0.665922 0.834078 0.165922 ] [ 0.834078 0.834078 0.834078 ] [ 0.165922 0.665922 0.834078 ] [ 0.415922 0.915922 0.584078 ] [ 0.834078 0.165922 0.665922 ] [ 0.084078 0.084078 0.084078 ] [ 0.084078 0.915922 0.415922 ] [ 0.415922 0.084078 0.915922 ] [ 0.165922 0.334078 0.665922 ] [ 0.334078 0.334078 0.334078 ] [ 0.665922 0.165922 0.334078 ] [ 0.915922 0.415922 0.084078 ] [ 0.334078 0.665922 0.165922 ] [ 0.584078 0.584078 0.584078 ] [ 0.05909 0.130988 0.289439 ] [ 0.880988 0.80909 0.039439 ] [ 0.210561 0.05909 0.869012 ] [ 0.039439 0.880988 0.80909 ] [ 0.869012 0.210561 0.05909 ] [ 0.80909 0.039439 0.880988 ] [ 0.119012 0.30909 0.460561 ] [ 0.69091 0.039439 0.119012 ] [ 0.94091 0.630988 0.210561 ] [ 0.380988 0.69091 0.960561 ] [ 0.05909 0.869012 0.210561 ] [ 0.869012 0.789439 0.44091 ] [ 0.460561 0.119012 0.30909 ] [ 0.119012 0.69091 0.039439 ] [ 0.30909 0.460561 0.119012 ] [ 0.960561 0.380988 0.69091 ] [ 0.69091 0.960561 0.380988 ] [ 0.630988 0.210561 0.94091 ] [ 0.130988 0.289439 0.05909 ] [ 0.039439 0.119012 0.69091 ] [ 0.44091 0.869012 0.789439 ] [ 0.789439 0.44091 0.869012 ] [ 0.289439 0.05909 0.130988 ] [ 0.210561 0.94091 0.630988 ] [ 0.55909 0.630988 0.789439 ] [ 0.380988 0.30909 0.539439 ] [ 0.710561 0.55909 0.369012 ] [ 0.539439 0.380988 0.30909 ] [ 0.369012 0.710561 0.55909 ] [ 0.30909 0.539439 0.380988 ] [ 0.619012 0.80909 0.960561 ] [ 0.19091 0.539439 0.619012 ] [ 0.44091 0.130988 0.710561 ] [ 0.880988 0.19091 0.460561 ] [ 0.55909 0.369012 0.710561 ] [ 0.369012 0.289439 0.94091 ] [ 0.960561 0.619012 0.80909 ] [ 0.619012 0.19091 0.539439 ] [ 0.80909 0.960561 0.619012 ] [ 0.460561 0.880988 0.19091 ] [ 0.19091 0.460561 0.880988 ] [ 0.130988 0.710561 0.44091 ] [ 0.630988 0.789439 0.55909 ] [ 0.539439 0.619012 0.19091 ] [ 0.94091 0.369012 0.289439 ] [ 0.289439 0.94091 0.369012 ] [ 0.789439 0.55909 0.630988 ] [ 0.710561 0.44091 0.130988 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.4287562865 "source-unit" "angstrom" } }