{ "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 0.5 0 ] [ 0.824322 0 0.683753 ] [ 0.675678 0.5 0.316247 ] [ 0.5 0 0 ] [ 0.324322 0.5 0.683753 ] [ 0.175678 0 0.316247 ] [ 0.81772 0 0.127551 ] [ 0.68228 0.5 0.872449 ] [ 0.31772 0.5 0.127551 ] [ 0.18228 0 0.872449 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.842366 0.5 0.40181 ] [ 0.659942 0 0.083092 ] [ 0.657634 0 0.59819 ] [ 0.99923 0 0.722127 ] [ 0.00077 0 0.277873 ] [ 0.840058 0.5 0.916908 ] [ 0.342366 0 0.40181 ] [ 0.159942 0.5 0.083092 ] [ 0.157634 0.5 0.59819 ] [ 0.49923 0.5 0.722127 ] [ 0.50077 0.5 0.277873 ] [ 0.340058 0 0.916908 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Sb" "Sb" "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" 12.84541918 "source-unit" "angstrom" } "b" { "source-value" 3.07413893 "source-unit" "angstrom" } "c" { "source-value" 6.22046268 "source-unit" "angstrom" } "beta" { "source-value" 105.54359522 "source-unit" "degree" } }