{ "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 0.75 0.5 ] [ 0 0 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.233268 0.5 0.222232 ] [ 0.004886 0.727887 0.248771 ] [ 0.504886 0.772113 0.248771 ] [ 0.25469 0 0.255129 ] [ 0.74531 0 0.744871 ] [ 0.495114 0.227887 0.751229 ] [ 0.995114 0.272113 0.751229 ] [ 0.766732 0.5 0.777768 ] [ 0.733268 0 0.222232 ] [ 0.504886 0.227887 0.248771 ] [ 0.004886 0.272113 0.248771 ] [ 0.75469 0.5 0.255129 ] [ 0.24531 0.5 0.744871 ] [ 0.995114 0.727887 0.751229 ] [ 0.495114 0.772113 0.751229 ] [ 0.266732 0 0.777768 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 10.39361247 "source-unit" "angstrom" } "b" { "source-value" 6.10107074 "source-unit" "angstrom" } "c" { "source-value" 6.06227267 "source-unit" "angstrom" } "beta" { "source-value" 125.75593674 "source-unit" "degree" } }