{ "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" [ [ 0.75 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.263295 0 0.773502 ] [ 0.999036 0.73721 0.762361 ] [ 0.999036 0.26279 0.762361 ] [ 0.750942 0 0.765671 ] [ 0.249058 0 0.234329 ] [ 0.000964 0.73721 0.237639 ] [ 0.000964 0.26279 0.237639 ] [ 0.736705 0 0.226498 ] [ 0.763295 0.5 0.773502 ] [ 0.499036 0.23721 0.762361 ] [ 0.499036 0.76279 0.762361 ] [ 0.250942 0.5 0.765671 ] [ 0.749058 0.5 0.234329 ] [ 0.500964 0.23721 0.237639 ] [ 0.500964 0.76279 0.237639 ] [ 0.236705 0.5 0.226498 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 10.25112163 "source-unit" "angstrom" } "b" { "source-value" 5.99391133 "source-unit" "angstrom" } "c" { "source-value" 5.98857021 "source-unit" "angstrom" } "beta" { "source-value" 125.18626785 "source-unit" "degree" } }