{ "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" [ [ 0.319622 0.16299 0.007638 ] [ 0.537371 0.927281 0.244159 ] [ 0.462629 0.427281 0.255841 ] [ 0.680378 0.66299 0.492362 ] [ 0.319622 0.33701 0.507638 ] [ 0.537371 0.572719 0.744159 ] [ 0.462629 0.072719 0.755841 ] [ 0.680378 0.83701 0.992362 ] [ 0.824171 0.332374 0.010844 ] [ 0.175829 0.832374 0.489156 ] [ 0.824171 0.167626 0.510844 ] [ 0.175829 0.667626 0.989156 ] [ 0.93543 0.590401 0.244738 ] [ 0.06457 0.090401 0.255262 ] [ 0.93543 0.909599 0.744738 ] [ 0.06457 0.409599 0.755262 ] [ 0.82179 0.665039 0.023576 ] [ 0.742322 0.159218 0.033915 ] [ 0.940155 0.949654 0.249633 ] [ 0.61224 0.589455 0.241219 ] [ 0.38776 0.089455 0.258781 ] [ 0.059845 0.449654 0.250367 ] [ 0.257678 0.659218 0.466085 ] [ 0.17821 0.165039 0.476424 ] [ 0.82179 0.834961 0.523576 ] [ 0.742322 0.340782 0.533915 ] [ 0.940155 0.550346 0.749633 ] [ 0.61224 0.910545 0.741219 ] [ 0.38776 0.410545 0.758781 ] [ 0.059845 0.050346 0.750367 ] [ 0.257678 0.840782 0.966085 ] [ 0.17821 0.334961 0.976424 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "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" 5.13526614 "source-unit" "angstrom" } "b" { "source-value" 10.8760059 "source-unit" "angstrom" } "c" { "source-value" 7.86366325 "source-unit" "angstrom" } "beta" { "source-value" 128.41947723 "source-unit" "degree" } }