{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0.710842 0.000865 0.948938 ] [ 0.981385 0.742313 0.957077 ] [ 0.710842 0.999135 0.448938 ] [ 0.518615 0.242313 0.542923 ] [ 0.981385 0.257687 0.457077 ] [ 0.789158 0.500865 0.551062 ] [ 0.518615 0.757687 0.042923 ] [ 0.789158 0.499135 0.051062 ] [ 0.210842 0.500865 0.948938 ] [ 0.481385 0.242313 0.957077 ] [ 0.210842 0.499135 0.448938 ] [ 0.018615 0.742313 0.542923 ] [ 0.481385 0.757687 0.457077 ] [ 0.289158 0.000865 0.551062 ] [ 0.018615 0.257687 0.042923 ] [ 0.289158 0.999135 0.051062 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 8.41360707 "source-unit" "angstrom" } "b" { "source-value" 8.18840074 "source-unit" "angstrom" } "c" { "source-value" 6.18405382 "source-unit" "angstrom" } "beta" { "source-value" 132.68570856 "source-unit" "degree" } }