{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.2391 0.5 0.204842 ] [ 0.020958 0.750159 0.788286 ] [ 0.757753 0 0.795321 ] [ 0.020958 0.249841 0.788286 ] [ 0.979042 0.750159 0.211714 ] [ 0.242247 0 0.204679 ] [ 0.979042 0.249841 0.211714 ] [ 0.7609 0.5 0.795158 ] [ 0.7391 0 0.204842 ] [ 0.520958 0.250159 0.788286 ] [ 0.257753 0.5 0.795321 ] [ 0.520958 0.749841 0.788286 ] [ 0.479042 0.250159 0.211714 ] [ 0.742247 0.5 0.204679 ] [ 0.479042 0.749841 0.211714 ] [ 0.2609 0 0.795158 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "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" 10.29559693 "source-unit" "angstrom" } "b" { "source-value" 5.88558174 "source-unit" "angstrom" } "c" { "source-value" 5.99533582 "source-unit" "angstrom" } "beta" { "source-value" 124.61373038 "source-unit" "degree" } }