{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.257475 0.25 ] [ 0.75 0.742525 0.75 ] [ 0.25 0.757854 0.25 ] [ 0.75 0.242146 0.75 ] [ 0.141605 0.999145 0.852099 ] [ 0.358395 0.999145 0.647901 ] [ 0.858395 0.000855 0.147901 ] [ 0.641605 0.000855 0.352099 ] [ 0.791285 0.504756 0.501895 ] [ 0.208715 0.495244 0.498105 ] [ 0.708715 0.504756 0.998105 ] [ 0.291285 0.495244 0.001895 ] [ 0.791728 0.78717 0.041019 ] [ 0.927094 0.02235 0.791976 ] [ 0.427094 0.97765 0.291976 ] [ 0.572906 0.02235 0.708024 ] [ 0.072906 0.97765 0.208024 ] [ 0.208272 0.21283 0.958981 ] [ 0.708272 0.78717 0.458981 ] [ 0.291728 0.21283 0.541019 ] [ 0.819071 0.287451 0.090617 ] [ 0.772445 0.461768 0.638744 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.75 0.956618 0.25 ] [ 0.25 0.043382 0.75 ] [ 0.319071 0.712549 0.590617 ] [ 0.727555 0.461768 0.861256 ] [ 0.680929 0.287451 0.409383 ] [ 0.180929 0.712549 0.909383 ] [ 0.227555 0.538232 0.361256 ] [ 0.272445 0.538232 0.138744 ] ] } "species" { "source-value" [ "Li" "Li" "Al" "Al" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.73804500332 "source-unit" "angstrom" } "b" { "source-value" 5.23196498 "source-unit" "angstrom" } "c" { "source-value" 11.4065661228 "source-unit" "angstrom" } "beta" { "source-value" 105.469005028 "source-unit" "degree" } }