{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.75 0.75 0.5 ] [ 0 0 0.5 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.734992 0.994994 0.002597 ] [ 0.494083 0.762112 0.982432 ] [ 0.765008 0.494994 0.497403 ] [ 0.505917 0.762112 0.517568 ] [ 0.994083 0.737888 0.482432 ] [ 0.734992 0.005006 0.502597 ] [ 0.005917 0.737888 0.017568 ] [ 0.765008 0.505006 0.997403 ] [ 0.234992 0.494994 0.002597 ] [ 0.994083 0.262112 0.982432 ] [ 0.265008 0.994994 0.497403 ] [ 0.005917 0.262112 0.517568 ] [ 0.494083 0.237888 0.482432 ] [ 0.234992 0.505006 0.502597 ] [ 0.505917 0.237888 0.017568 ] [ 0.265008 0.005006 0.997403 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Ni" "Ni" "Ni" "Ni" "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" 8.06746358 "source-unit" "angstrom" } "b" { "source-value" 8.10796416 "source-unit" "angstrom" } "c" { "source-value" 5.79116127 "source-unit" "angstrom" } "beta" { "source-value" 134.11784061 "source-unit" "degree" } }