{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.369726 0 0.696419 ] [ 0.630274 0 0.303581 ] [ 0 0 0.5 ] [ 0.869726 0.5 0.696419 ] [ 0.130274 0.5 0.303581 ] [ 0.5 0.5 0.5 ] [ 0.026013 0.249454 0.328685 ] [ 0.973987 0.249454 0.671315 ] [ 0.973987 0.750546 0.671315 ] [ 0.026013 0.750546 0.328685 ] [ 0.219975 0 0.562101 ] [ 0.780025 0 0.437899 ] [ 0.678742 0 0.117116 ] [ 0.321258 0 0.882884 ] [ 0.526013 0.749454 0.328685 ] [ 0.473987 0.749454 0.671315 ] [ 0.473987 0.250546 0.671315 ] [ 0.526013 0.250546 0.328685 ] [ 0.719975 0.5 0.562101 ] [ 0.280025 0.5 0.437899 ] [ 0.178742 0.5 0.117116 ] [ 0.821258 0.5 0.882884 ] ] } "species" { "source-value" [ "Rb" "Rb" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 8.92341599633 "source-unit" "angstrom" } "b" { "source-value" 5.53124674883 "source-unit" "angstrom" } "c" { "source-value" 8.21597919379 "source-unit" "angstrom" } "beta" { "source-value" 94.8149238234 "source-unit" "degree" } }