{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.999672 0.026341 0.497054 ] [ 0.999672 0.973659 0.997054 ] [ 0.499672 0.526341 0.497054 ] [ 0.499672 0.473659 0.997054 ] [ 0.247866 0.007784 0.623329 ] [ 0.247866 0.992216 0.123329 ] [ 0.747866 0.507784 0.623329 ] [ 0.747866 0.492216 0.123329 ] [ 0.998606 0.501821 0.7491 ] [ 0.998606 0.498179 0.2491 ] [ 0.498606 0.001821 0.7491 ] [ 0.498606 0.998179 0.2491 ] [ 0.570349 0.290567 0.36363 ] [ 0.331354 0.036037 0.592545 ] [ 0.158031 0.305892 0.53452 ] [ 0.158031 0.694108 0.03452 ] [ 0.831354 0.463963 0.092545 ] [ 0.934222 0.566446 0.505022 ] [ 0.934222 0.433554 0.005022 ] [ 0.070349 0.209433 0.86363 ] [ 0.070349 0.790567 0.36363 ] [ 0.831354 0.536037 0.592545 ] [ 0.658031 0.805892 0.53452 ] [ 0.658031 0.194108 0.03452 ] [ 0.331354 0.963963 0.092545 ] [ 0.434222 0.066446 0.505022 ] [ 0.434222 0.933554 0.005022 ] [ 0.570349 0.709433 0.86363 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Li" "Li" "Li" "Li" "Mo" "Mo" "Mo" "Mo" "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" 19.3254475096 "source-unit" "angstrom" } "b" { "source-value" 5.80029042535 "source-unit" "angstrom" } "c" { "source-value" 11.4647909544 "source-unit" "angstrom" } "beta" { "source-value" 154.570851067 "source-unit" "degree" } }