{ "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" [ [ 0.36111 0.269837 0.607298 ] [ 0.36111 0.230163 0.107298 ] [ 0.63889 0.769837 0.892702 ] [ 0.63889 0.730163 0.392702 ] [ 0.161478 0.770039 0.809959 ] [ 0.161478 0.729961 0.309959 ] [ 0.838522 0.270039 0.690041 ] [ 0.838522 0.229961 0.190041 ] [ 0.075675 0.102186 0.690019 ] [ 0.172523 0.611917 0.565452 ] [ 0.075675 0.397814 0.190019 ] [ 0.338026 0.500921 0.876381 ] [ 0.172523 0.888083 0.065452 ] [ 0.338026 0.999079 0.376381 ] [ 0.385645 0.988048 0.830611 ] [ 0.614355 0.488048 0.669389 ] [ 0.385645 0.511952 0.330611 ] [ 0.614355 0.011952 0.169389 ] [ 0.661974 0.000921 0.623619 ] [ 0.827477 0.111917 0.934548 ] [ 0.661974 0.499079 0.123619 ] [ 0.924325 0.602186 0.809981 ] [ 0.827477 0.388083 0.434548 ] [ 0.924325 0.897814 0.309981 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Bi" "Bi" "Bi" "Bi" "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" 8.01763692 "source-unit" "angstrom" } "b" { "source-value" 5.72464792 "source-unit" "angstrom" } "c" { "source-value" 8.04107185 "source-unit" "angstrom" } "beta" { "source-value" 98.26485311 "source-unit" "degree" } }