{ "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" [ [ 0.862145 0.5 0.615914 ] [ 0.836293 0.5 0.196226 ] [ 0.137855 0.5 0.384086 ] [ 0.163707 0.5 0.803774 ] [ 0.362145 0 0.615914 ] [ 0.336293 0 0.196226 ] [ 0.637855 0 0.384086 ] [ 0.663707 0 0.803774 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.851815 0 0.119002 ] [ 0.815337 0 0.679135 ] [ 0 0.5 0.5 ] [ 0.148185 0 0.880998 ] [ 0.184663 0 0.320865 ] [ 0.351815 0.5 0.119002 ] [ 0.315337 0.5 0.679135 ] [ 0.5 0 0.5 ] [ 0.648185 0.5 0.880998 ] [ 0.684663 0.5 0.320865 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "O" "O" "F" "F" "F" "F" "F" "F" "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" 10.21550667 "source-unit" "angstrom" } "b" { "source-value" 3.6707042 "source-unit" "angstrom" } "c" { "source-value" 6.59988292 "source-unit" "angstrom" } "beta" { "source-value" 115.59026988 "source-unit" "degree" } }