{ "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" [ [ 0.963371 0.25 0.56451 ] [ 0.036629 0.75 0.43549 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.53155 0.006099 0.306119 ] [ 0.53155 0.493901 0.306119 ] [ 0.46845 0.993901 0.693881 ] [ 0.46845 0.506099 0.693881 ] [ 0.903133 0.25 0.023859 ] [ 0.855172 0.932226 0.216993 ] [ 0.855172 0.567774 0.216993 ] [ 0.74704 0.954988 0.531989 ] [ 0.74704 0.545012 0.531989 ] [ 0.670059 0.25 0.349018 ] [ 0.670987 0.946791 0.879359 ] [ 0.670987 0.553209 0.879359 ] [ 0.586791 0.25 0.682669 ] [ 0.413209 0.75 0.317331 ] [ 0.329013 0.053209 0.120641 ] [ 0.329013 0.446791 0.120641 ] [ 0.329941 0.75 0.650982 ] [ 0.25296 0.045012 0.468011 ] [ 0.25296 0.454988 0.468011 ] [ 0.144828 0.067774 0.783007 ] [ 0.144828 0.432226 0.783007 ] [ 0.096867 0.75 0.976141 ] ] } "species" { "source-value" [ "Lu" "Lu" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "O" "O" "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" 5.2295053 "source-unit" "angstrom" } "b" { "source-value" 7.48857704 "source-unit" "angstrom" } "c" { "source-value" 8.31241006 "source-unit" "angstrom" } "beta" { "source-value" 92.63334335 "source-unit" "degree" } }