{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.43419 0.230854 0.120989 ] [ 0.43419 0.769146 0.620989 ] [ 0.92151 0.665052 0.04243 ] [ 0.853089 0.226928 0.595259 ] [ 0.92151 0.334948 0.54243 ] [ 0.059555 0.307459 0.490525 ] [ 0.853089 0.773072 0.095259 ] [ 0.059555 0.692541 0.990525 ] [ 0.940775 0.079636 0.583381 ] [ 0.121021 0.8501 0.994492 ] [ 0.121021 0.1499 0.494492 ] [ 0.940775 0.920364 0.083381 ] [ 0.717545 0.810633 0.633962 ] [ 0.140807 0.178771 0.020892 ] [ 0.844295 0.486571 0.542658 ] [ 0.717545 0.189367 0.133962 ] [ 0.453429 0.04716 0.284157 ] [ 0.694289 0.23315 0.672263 ] [ 0.170411 0.41902 0.428352 ] [ 0.402637 0.319269 0.869223 ] [ 0.140807 0.821229 0.520892 ] [ 0.453429 0.95284 0.784157 ] [ 0.170411 0.58098 0.928352 ] [ 0.402637 0.680731 0.369223 ] [ 0.694289 0.76685 0.172263 ] [ 0.844295 0.513429 0.042658 ] [ 0.445507 0.359908 0.239906 ] [ 0.445507 0.640092 0.739906 ] ] } "species" { "source-value" [ "Mo" "Mo" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.37877343658 "source-unit" "angstrom" } "b" { "source-value" 10.33117842 "source-unit" "angstrom" } "c" { "source-value" 9.00111118479 "source-unit" "angstrom" } "beta" { "source-value" 107.648269497 "source-unit" "degree" } }