{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.249794 0 0.253513 ] [ 0.5 0 0 ] [ 0.750206 0 0.746487 ] [ 0 0 0.5 ] [ 0.876464 0 0.128711 ] [ 0 0.5 0 ] [ 0.123536 0 0.871289 ] [ 0.252615 0.5 0.745659 ] [ 0.374582 0 0.622814 ] [ 0.5 0.5 0.5 ] [ 0.625418 0 0.377186 ] [ 0.747385 0.5 0.254341 ] [ 0.279272 0.5 0.935875 ] [ 0.399467 0 0.798404 ] [ 0.354056 0 0.446707 ] [ 0.600533 0 0.201596 ] [ 0.523853 0.5 0.686014 ] [ 0.476147 0.5 0.313986 ] [ 0.720728 0.5 0.064125 ] [ 0.645944 0 0.553293 ] [ 0.841307 0 0.941599 ] [ 0.774326 0.5 0.441307 ] [ 0.021165 0.5 0.194606 ] [ 0.978835 0.5 0.805394 ] [ 0.893758 0 0.307958 ] [ 0.158693 0 0.058401 ] [ 0.106242 0 0.692042 ] [ 0.225674 0.5 0.558693 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "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" 5.16082989 "source-unit" "angstrom" } "b" { "source-value" 2.93106988 "source-unit" "angstrom" } "c" { "source-value" 19.18296588 "source-unit" "angstrom" } "beta" { "source-value" 93.97848872 "source-unit" "degree" } }