{ "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 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.99115 0.747512 0.204413 ] [ 0.231796 0.5 0.215093 ] [ 0.229765 0 0.216041 ] [ 0.99115 0.252488 0.204413 ] [ 0.00885 0.747512 0.795587 ] [ 0.770235 0 0.783959 ] [ 0.768204 0.5 0.784907 ] [ 0.00885 0.252488 0.795587 ] [ 0.49115 0.247512 0.204413 ] [ 0.731796 0 0.215093 ] [ 0.729765 0.5 0.216041 ] [ 0.49115 0.752488 0.204413 ] [ 0.50885 0.247512 0.795587 ] [ 0.270235 0.5 0.783959 ] [ 0.268204 0 0.784907 ] [ 0.50885 0.752488 0.795587 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "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" 10.37504581 "source-unit" "angstrom" } "b" { "source-value" 5.95209136 "source-unit" "angstrom" } "c" { "source-value" 6.06057733 "source-unit" "angstrom" } "beta" { "source-value" 124.58466289 "source-unit" "degree" } }