{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.01027 0.63867 0.095494 ] [ 0.98973 0.13867 0.404506 ] [ 0.01027 0.86133 0.595494 ] [ 0.98973 0.36133 0.904506 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.665295 0.804217 0.193077 ] [ 0.334705 0.304217 0.306923 ] [ 0.665295 0.695783 0.693077 ] [ 0.334705 0.195783 0.806923 ] [ 0.249568 0.143758 0.943588 ] [ 0.310228 0.807951 0.101673 ] [ 0.198636 0.426165 0.151755 ] [ 0.796395 0.626441 0.254854 ] [ 0.203605 0.126441 0.245146 ] [ 0.801364 0.926165 0.348245 ] [ 0.689772 0.307951 0.398327 ] [ 0.750432 0.643758 0.556412 ] [ 0.249568 0.356242 0.443588 ] [ 0.310228 0.692049 0.601673 ] [ 0.198636 0.073835 0.651755 ] [ 0.796395 0.873559 0.754854 ] [ 0.203605 0.373559 0.745146 ] [ 0.801364 0.573835 0.848245 ] [ 0.689772 0.192049 0.898327 ] [ 0.750432 0.856242 0.056412 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "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" 5.13569172 "source-unit" "angstrom" } "b" { "source-value" 8.03984192 "source-unit" "angstrom" } "c" { "source-value" 8.94731189 "source-unit" "angstrom" } "beta" { "source-value" 122.06197751 "source-unit" "degree" } }