{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.241456 0.4478 0.232537 ] [ 0.758544 0.9478 0.767463 ] [ 0.780658 0.780966 0.369585 ] [ 0.219342 0.280966 0.630415 ] [ 0.715427 0.271924 0.428962 ] [ 0.284573 0.771924 0.571038 ] [ 0.725883 0.72672 0.085805 ] [ 0.274117 0.22672 0.914195 ] [ 0.305495 0.228418 0.034428 ] [ 0.932131 0.725764 0.133351 ] [ 0.552889 0.727945 0.162586 ] [ 0.772625 0.099398 0.348861 ] [ 0.791789 0.449277 0.35848 ] [ 0.16102 0.757426 0.437626 ] [ 0.449315 0.282211 0.453215 ] [ 0.550685 0.782211 0.546785 ] [ 0.83898 0.257426 0.562374 ] [ 0.208211 0.949277 0.64152 ] [ 0.227375 0.599398 0.651139 ] [ 0.447111 0.227945 0.837414 ] [ 0.067869 0.225764 0.866649 ] [ 0.694505 0.728418 0.965572 ] ] } "species" { "source-value" [ "K" "K" "Pr" "Pr" "P" "P" "C" "C" "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" 5.77213447 "source-unit" "angstrom" } "b" { "source-value" 7.23414643 "source-unit" "angstrom" } "c" { "source-value" 10.495374 "source-unit" "angstrom" } "beta" { "source-value" 90.60592745 "source-unit" "degree" } }