{ "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" [ [ 0.736927 0.940801 0.75073 ] [ 0.263073 0.440801 0.74927 ] [ 0.736927 0.559199 0.25073 ] [ 0.263073 0.059199 0.24927 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.104823 0.433754 0.237643 ] [ 0.759481 0.199079 0.929526 ] [ 0.370813 0.179412 0.567836 ] [ 0.629187 0.679412 0.932164 ] [ 0.240519 0.699079 0.570474 ] [ 0.895177 0.933754 0.262357 ] [ 0.104823 0.066246 0.737643 ] [ 0.759481 0.300921 0.429526 ] [ 0.370813 0.320588 0.067836 ] [ 0.629187 0.820588 0.432164 ] [ 0.240519 0.800921 0.070474 ] [ 0.895177 0.566246 0.762357 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Bi" "Bi" "Bi" "Bi" "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" 5.80646823 "source-unit" "angstrom" } "b" { "source-value" 6.06443193 "source-unit" "angstrom" } "c" { "source-value" 10.22269892 "source-unit" "angstrom" } "beta" { "source-value" 124.58206491 "source-unit" "degree" } }