{ "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" [ [ 0.615456 0.665113 0.298291 ] [ 0.115456 0.834887 0.798291 ] [ 0.884544 0.165113 0.201709 ] [ 0.384544 0.334887 0.701709 ] [ 0.096075 0.633243 0.284311 ] [ 0.403925 0.133243 0.215689 ] [ 0.903925 0.366757 0.715689 ] [ 0.596075 0.866757 0.784311 ] [ 0.70634 0.709383 0.111452 ] [ 0.79366 0.209383 0.388548 ] [ 0.29366 0.290617 0.888548 ] [ 0.20634 0.790617 0.611452 ] [ 0.811986 0.595111 0.462964 ] [ 0.688014 0.095111 0.037036 ] [ 0.188014 0.404889 0.537036 ] [ 0.311986 0.904889 0.962964 ] [ 0.936868 0.985601 0.752823 ] [ 0.563132 0.485601 0.747177 ] [ 0.063132 0.014399 0.247177 ] [ 0.436868 0.514399 0.252823 ] [ 0.020974 0.653958 0.874785 ] [ 0.479026 0.153958 0.625215 ] [ 0.979026 0.346042 0.125215 ] [ 0.520974 0.846042 0.374785 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Pb" "Pb" "Pb" "Pb" "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" 6.92266880852 "source-unit" "angstrom" } "b" { "source-value" 7.62051118 "source-unit" "angstrom" } "c" { "source-value" 7.28834529801 "source-unit" "angstrom" } "beta" { "source-value" 102.909061817 "source-unit" "degree" } }