{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.816619 0.988223 0.23636 ] [ 0 0.6975 0.5 ] [ 0 0.327981 0 ] [ 0 0.681165 0 ] [ 0.183381 0.988223 0.76364 ] [ 0.316619 0.488223 0.23636 ] [ 0.5 0.1975 0.5 ] [ 0.5 0.827981 0 ] [ 0.5 0.181165 0 ] [ 0.683381 0.488223 0.76364 ] [ 0 0.321977 0.5 ] [ 0.5 0.821977 0.5 ] [ 0.824666 0.993195 0.756338 ] [ 0.175334 0.993195 0.243662 ] [ 0.324666 0.493195 0.756338 ] [ 0.675334 0.493195 0.243662 ] [ 0.696803 0.000533 0.963094 ] [ 0.694646 0.995798 0.534067 ] [ 0.042929 0.176892 0.257641 ] [ 0.032274 0.831048 0.249953 ] [ 0.957071 0.176892 0.742359 ] [ 0.967726 0.831048 0.750047 ] [ 0.305354 0.995798 0.465933 ] [ 0.303197 0.000533 0.036906 ] [ 0.196803 0.500533 0.963094 ] [ 0.194646 0.495798 0.534067 ] [ 0.542929 0.676892 0.257641 ] [ 0.532274 0.331048 0.249953 ] [ 0.457071 0.676892 0.742359 ] [ 0.467726 0.331048 0.750047 ] [ 0.805354 0.495798 0.465933 ] [ 0.803197 0.500533 0.036906 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "Si" "Si" "Si" "Si" "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" 7.37525293 "source-unit" "angstrom" } "b" { "source-value" 7.56609988 "source-unit" "angstrom" } "c" { "source-value" 6.32245959 "source-unit" "angstrom" } "beta" { "source-value" 90.57373314 "source-unit" "degree" } }