{ "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" [ [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0 0.5 0.5 ] [ 0.73366 0 0.226159 ] [ 0.99682 0.737989 0.234203 ] [ 0.99682 0.262011 0.234203 ] [ 0.26634 0 0.773841 ] [ 0.249912 0 0.237957 ] [ 0.00318 0.262011 0.765797 ] [ 0.00318 0.737989 0.765797 ] [ 0.750088 0 0.762043 ] [ 0.23366 0.5 0.226159 ] [ 0.49682 0.237989 0.234203 ] [ 0.49682 0.762011 0.234203 ] [ 0.76634 0.5 0.773841 ] [ 0.749912 0.5 0.237957 ] [ 0.50318 0.762011 0.765797 ] [ 0.50318 0.237989 0.765797 ] [ 0.250088 0.5 0.762043 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "V" "V" "V" "V" "V" "V" "V" "V" "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" 10.44353648 "source-unit" "angstrom" } "b" { "source-value" 6.08170951 "source-unit" "angstrom" } "c" { "source-value" 6.08503335 "source-unit" "angstrom" } "beta" { "source-value" 125.08500513 "source-unit" "degree" } }