{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.244436 0.028076 0.242654 ] [ 0.244436 0.471924 0.242654 ] [ 0.755564 0.528076 0.757346 ] [ 0.755564 0.971924 0.757346 ] [ 0.765417 0.75 0.357348 ] [ 0.234583 0.25 0.642652 ] [ 0.730936 0.25 0.43778 ] [ 0.269064 0.75 0.56222 ] [ 0.728416 0.75 0.108757 ] [ 0.271584 0.25 0.891243 ] [ 0.295153 0.25 0.020392 ] [ 0.938338 0.75 0.176985 ] [ 0.544083 0.75 0.198783 ] [ 0.759774 0.057046 0.348109 ] [ 0.759774 0.442954 0.348109 ] [ 0.071221 0.75 0.444941 ] [ 0.467509 0.25 0.502228 ] [ 0.532491 0.75 0.497772 ] [ 0.928779 0.25 0.555059 ] [ 0.240226 0.557046 0.651891 ] [ 0.240226 0.942954 0.651891 ] [ 0.455917 0.25 0.801217 ] [ 0.061662 0.25 0.823015 ] [ 0.704847 0.75 0.979608 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Al" "Al" "P" "P" "C" "C" "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" 5.45840641 "source-unit" "angstrom" } "b" { "source-value" 6.62442884 "source-unit" "angstrom" } "c" { "source-value" 9.61185245 "source-unit" "angstrom" } "beta" { "source-value" 90.08441218 "source-unit" "degree" } }