{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.271124 0 ] [ 0.5 0.763671 0.5 ] [ 0.5 0.397299 0.5 ] [ 0 0.235643 0.5 ] [ 0.5 0.883072 0 ] [ 0 0.088232 0 ] [ 0 0.594928 0.5 ] [ 0.176971 0.411052 0.2057 ] [ 0.677737 0.589203 0.208051 ] [ 0.179387 0.913498 0.294812 ] [ 0.674897 0.090919 0.297152 ] [ 0.820613 0.913498 0.705188 ] [ 0.325103 0.090919 0.702848 ] [ 0.322263 0.589203 0.791949 ] [ 0.823029 0.411052 0.7943 ] [ 0.178571 0.920147 0.124166 ] [ 0.661421 0.099518 0.123663 ] [ 0.655444 0.752482 0.144598 ] [ 0.185654 0.254155 0.120439 ] [ 0.93466 0.506949 0.157824 ] [ 0.44846 0.47866 0.150763 ] [ 0.447941 0.983051 0.355145 ] [ 0.945791 0.018764 0.350785 ] [ 0.183301 0.757288 0.381413 ] [ 0.685589 0.246319 0.382594 ] [ 0.660316 0.590778 0.383773 ] [ 0.176298 0.402181 0.380623 ] [ 0.339684 0.590778 0.616227 ] [ 0.823702 0.402181 0.619377 ] [ 0.816699 0.757288 0.618587 ] [ 0.314411 0.246319 0.617406 ] [ 0.552059 0.983051 0.644855 ] [ 0.054209 0.018764 0.649215 ] [ 0.06534 0.506949 0.842176 ] [ 0.55154 0.47866 0.849237 ] [ 0.344556 0.752482 0.855402 ] [ 0.814346 0.254155 0.879561 ] [ 0.821429 0.920147 0.875834 ] [ 0.338579 0.099518 0.876337 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Sc" "Sc" "Sc" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "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" 5.4401847 "source-unit" "angstrom" } "b" { "source-value" 8.97921673 "source-unit" "angstrom" } "c" { "source-value" 9.45088408 "source-unit" "angstrom" } "beta" { "source-value" 90.1507551 "source-unit" "degree" } }