{ "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" [ [ 0.761538 0.491424 0.222166 ] [ 0.238462 0.991424 0.277834 ] [ 0.761538 0.008576 0.722166 ] [ 0.5 0 0 ] [ 0.238462 0.508576 0.777834 ] [ 0.5 0.5 0.5 ] [ 0.256854 0.072762 0.597659 ] [ 0.743146 0.572762 0.902341 ] [ 0.743146 0.927238 0.402341 ] [ 0.256854 0.427238 0.097659 ] [ 0.722965 0.252662 0.895343 ] [ 0.255968 0.314134 0.957036 ] [ 0.277035 0.747338 0.104657 ] [ 0.533229 0.771585 0.338576 ] [ 0.060208 0.184948 0.678653 ] [ 0.060208 0.315052 0.178653 ] [ 0.939792 0.684948 0.821347 ] [ 0.744032 0.685866 0.042964 ] [ 0.744032 0.814134 0.542964 ] [ 0.939792 0.815052 0.321347 ] [ 0.533229 0.728415 0.838576 ] [ 0.277035 0.752662 0.604657 ] [ 0.466771 0.271585 0.161424 ] [ 0.466771 0.228415 0.661424 ] [ 0.722965 0.247338 0.395343 ] [ 0.255968 0.185866 0.457036 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "P" "P" "P" "P" "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" 5.98219579297 "source-unit" "angstrom" } "b" { "source-value" 4.79092082 "source-unit" "angstrom" } "c" { "source-value" 10.3298190353 "source-unit" "angstrom" } "beta" { "source-value" 90.3279185601 "source-unit" "degree" } }