{ "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" [ [ 0.348531 0.5 0.463006 ] [ 0.850349 0.5 0.158676 ] [ 0.149651 0.5 0.841324 ] [ 0.651469 0.5 0.536994 ] [ 0.848531 0 0.463006 ] [ 0.350349 0 0.158676 ] [ 0.649651 0 0.841324 ] [ 0.151469 0 0.536994 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.913085 0 0.182114 ] [ 0.086915 0 0.817886 ] [ 0.413085 0.5 0.182114 ] [ 0.586915 0.5 0.817886 ] [ 0.280681 0 0.379318 ] [ 0.719319 0 0.620682 ] [ 0.780681 0.5 0.379318 ] [ 0.219319 0.5 0.620682 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.54538535 "source-unit" "angstrom" } "b" { "source-value" 3.80941431 "source-unit" "angstrom" } "c" { "source-value" 6.43577978 "source-unit" "angstrom" } "beta" { "source-value" 127.64344236 "source-unit" "degree" } }